cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc24xp4x
title: CCDC 1993769: Experimental Crystal Structure Determination

description: Related Article: Alicia M. Doerr, Justin M. Burroughs, Nicholas M. Legaux, Brian K. Long|2020|Cat.Sci.Tech.|10|6501|doi:10.1039/D0CY00642D
DOI: 10.5517/ccdc.csd.cc24xp5y
title: CCDC 1993770: Experimental Crystal Structure Determination

description: Related Article: Alicia M. Doerr, Justin M. Burroughs, Nicholas M. Legaux, Brian K. Long|2020|Cat.Sci.Tech.|10|6501|doi:10.1039/D0CY00642D
DOI: 10.5517/ccdc.csd.cc24xp6z
title: CCDC 1993771: Experimental Crystal Structure Determination

description: Related Article: Alicia M. Doerr, Justin M. Burroughs, Nicholas M. Legaux, Brian K. Long|2020|Cat.Sci.Tech.|10|6501|doi:10.1039/D0CY00642D
DOI: 10.5517/ccdc.csd.cc24xbjy
title: CCDC 1993440: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24xbl0
title: CCDC 1993442: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24xbkz
title: CCDC 1993441: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24x68k
title: CCDC 1993308: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24x69l
title: CCDC 1993309: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24x6bm
title: CCDC 1993310: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc24y8ds
title: CCDC 1994335: Experimental Crystal Structure Determination

description: Related Article: Wen-Yu Huang, Chun-Hua Lu, Samir Ghorai, Bing Li, Changkun Li|2020|J.Am.Chem.Soc.|142|15276|doi:10.1021/jacs.0c08283
DOI: 10.5281/zenodo.4066886
title: Survey of metaproteomics software tools for functional microbiome analysis

description: The dataset contains files used as input for running functional tools, and it also contains the output files generated by them. These output files were then used for data analysis to comparing them.
DOI: 10.5281/zenodo.3618607
title: SuperDARN grid files used to create the Thomas and Shepherd [2018] statistical convection model

description: Daily Northern Hemisphere SuperDARN grid files in DataMap format for the years 2010-2016 (inclusive) used to create the <em>Thomas and Shepherd</em> [2018] statistical convection model. Grid files were processed using a modified copy of v4.2 of the Radar Software Toolkit (RST) where the average slant range associated with each grid vector is stored in the 'pwr.median' field. References: Thomas, E. G., and S. G. Shepherd (2018), Statistical patterns of ionospheric convection derived from mid-latitude, high-latitude, and polar SuperDARN HF radar observations, J. Geophys. Res. Space Physics, 123, 3196-3216, doi:10.1002/2018JA025280. SuperDARN Data Analysis Working Group. Participating members: Thomas, E. G., P. V. Ponomarenko, D. D. Billett, E. C. Bland, A. G. Burrell, K. Kotyk, A. S. Reimer, M. Schmidt, S. G. Shepherd, K. T. Sterne, and M.-T. Walach, (2018), SuperDARN Radar Software Tookit (RST) v4.2, Zenodo, doi:10.5281/zenodo.1403226.
DOI: 10.5281/zenodo.3618606
title: SuperDARN grid files used to create the Thomas and Shepherd [2018] statistical convection model

description: Daily Northern Hemisphere SuperDARN grid files in DataMap format for the years 2010-2016 (inclusive) used to create the <em>Thomas and Shepherd</em> [2018] statistical convection model. Grid files were processed using a modified copy of v4.2 of the Radar Software Toolkit (RST) where the average slant range associated with each grid vector is stored in the 'pwr.median' field. References: Thomas, E. G., and S. G. Shepherd (2018), Statistical patterns of ionospheric convection derived from mid-latitude, high-latitude, and polar SuperDARN HF radar observations, J. Geophys. Res. Space Physics, 123, 3196-3216, doi:10.1002/2018JA025280. SuperDARN Data Analysis Working Group. Participating members: Thomas, E. G., P. V. Ponomarenko, D. D. Billett, E. C. Bland, A. G. Burrell, K. Kotyk, A. S. Reimer, M. Schmidt, S. G. Shepherd, K. T. Sterne, and M.-T. Walach, (2018), SuperDARN Radar Software Tookit (RST) v4.2, Zenodo, doi:10.5281/zenodo.1403226.
DOI: 10.18112/openneuro.ds003243.v1.0.0
title: DMCC55B
DOI: 10.5281/zenodo.4066850
title: 5G-PICTURE WP6 Stadium Massive MIMO Demo Results

description: This data set comprises of the Massive MIMO demo results and KPIs, as demonstrated in real-time on 13 March 2020, as part of the 5G-PICTURE WP6 Stadium Demo.
DOI: 10.5281/zenodo.4066849
title: 5G-PICTURE WP6 Stadium Massive MIMO Demo Results

description: This data set comprises of the Massive MIMO demo results and KPIs, as demonstrated in real-time on 13 March 2020, as part of the 5G-PICTURE WP6 Stadium Demo.
DOI: 10.17909/t9-mn5h-8e38
title: PHAT AGB Stars and Other Cool Giants in M31 Star Clusters ("PHATAGB")

description: The team provides a list of 937 candidate asymptotic giant branch (AGB) stars in M31 star clusters from the Panchromatic Hubble Andromeda Treasury survey, together with their finding charts. The photometric criteria selects stars brighter than the tip of the red giant branch, which includes the bulk of the thermally pulsing AGB stars as well as early-AGB stars and other luminous cool giants expected in young stellar populations (e.g., massive red supergiants, and intermediate-mass red helium-burning stars). The AGB stars can be differentiated using the ages estimated for the clusters. Cross-matching with additional databases reveals two carbon stars and 10 secure variables among them.
DOI: 10.34740/kaggle/dsv/1538807
title: Forecasting task
DOI: 10.5517/ccdc.csd.cc2577f3
title: CCDC 2002954: Experimental Crystal Structure Determination

description: Related Article: Sheng-En Qiu, Shi-Yao Yang|2020|CrystEngComm|22|6339|doi:10.1039/D0CE00905A
DOI: 10.5517/ccdc.csd.cc2577g4
title: CCDC 2002955: Experimental Crystal Structure Determination

description: Related Article: Sheng-En Qiu, Shi-Yao Yang|2020|CrystEngComm|22|6339|doi:10.1039/D0CE00905A
DOI: 10.5517/ccdc.csd.cc24ys85
title: CCDC 1994827: Experimental Crystal Structure Determination

description: Related Article: Maria P. Davydova, Irina Yu Bagryanskaya, Irina A. Bauer, Mariana I. Rakhmanova, Vasilii P. Morgalyuk, Valery K. Brel, Alexander V. Artem'ev|2020|Polyhedron|188|114706|doi:10.1016/j.poly.2020.114706
DOI: 10.5517/ccdc.csd.cc2590tb
title: CCDC 2004671: Experimental Crystal Structure Determination

description: Related Article: Hui-Sheng Wang, Yong Chen, Zhao-Bo Hu, Ke Zhang, Zaichao Zhang, You Song, Zhi-Quan Pan|2020|New J.Chem.|44|16302|doi:10.1039/D0NJ03838E
DOI: 10.5517/ccdc.csd.cc24fk9g
title: CCDC 1979235: Experimental Crystal Structure Determination

description: Related Article: Hui-Sheng Wang, Yong Chen, Zhao-Bo Hu, Ke Zhang, Zaichao Zhang, You Song, Zhi-Quan Pan|2020|New J.Chem.|44|16302|doi:10.1039/D0NJ03838E
DOI: 10.5517/ccdc.csd.cc259kpr
title: CCDC 2005194: Experimental Crystal Structure Determination

description: Related Article: Tao Liu, Wen Wen, Yin-Shan Meng, Cheng-Qi Jiao, Qiang Liu, Hai-Lang Zhu, Ya-Ming Li, Hiroki Oshio|2020|Angew.Chem.,Int.Ed.|59|16393|doi:10.1002/anie.202005998
DOI: 10.5517/ccdc.csd.cc25b4f3
title: CCDC 2005744: Experimental Crystal Structure Determination

description: Related Article: Sonam Verma, Ramaswamy Murugavel|2020|Inorg.Chem.|59|13233|doi:10.1021/acs.inorgchem.0c01591
DOI: 10.5517/ccdc.csd.cc25b5nc
title: CCDC 2005782: Experimental Crystal Structure Determination

description: Related Article: Eyad A. Younes, Nour Hussein, Majed Shtaiwi, Farshid Shahrokhi, Kayed A. Abu Safieh, Yuming Zhao|2020|New J.Chem.|44|16546|doi:10.1039/D0NJ03105D
DOI: 10.5517/ccdc.csd.cc25b5rg
title: CCDC 2005785: Experimental Crystal Structure Determination

description: Related Article: Eyad A. Younes, Nour Hussein, Majed Shtaiwi, Farshid Shahrokhi, Kayed A. Abu Safieh, Yuming Zhao|2020|New J.Chem.|44|16546|doi:10.1039/D0NJ03105D
DOI: 10.5517/ccdc.csd.cc25b5sh
title: CCDC 2005786: Experimental Crystal Structure Determination

description: Related Article: Eyad A. Younes, Nour Hussein, Majed Shtaiwi, Farshid Shahrokhi, Kayed A. Abu Safieh, Yuming Zhao|2020|New J.Chem.|44|16546|doi:10.1039/D0NJ03105D
DOI: 10.5517/ccdc.csd.cc25d1vh
title: CCDC 2007586: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d1wj
title: CCDC 2007587: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d1xk
title: CCDC 2007588: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d1yl
title: CCDC 2007589: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d1zm
title: CCDC 2007590: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d20p
title: CCDC 2007591: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d21q
title: CCDC 2007592: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25d22r
title: CCDC 2007593: Experimental Crystal Structure Determination

description: Related Article: Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia|2020|Inorg.Chem.Front.|7|3674|doi:10.1039/D0QI00832J
DOI: 10.5517/ccdc.csd.cc25dgxz
title: CCDC 2007991: Experimental Crystal Structure Determination

description: Related Article: wei zhu|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc25f4f6
title: CCDC 2008627: Experimental Crystal Structure Determination

description: Related Article: Olga Mironova, Taisiya Sukhikh, Nikolay Pushkarevsky|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc25f8d9
title: CCDC 2008750: Experimental Crystal Structure Determination

description: Related Article: Yuji Nishii|2020|CSD Communication|||
description: Related Article: Gen Mihara, Koushik Ghosh, Yuji Nishii, Masahiro Miura|2020|Org.Lett.|22|5706|doi:10.1021/acs.orglett.0c02112
DOI: 10.14272/qcipgrgzzutjag-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (2,5-dimethyl-N-phenylaniline)
title: InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV) m/z = 197 [M]+. HRMS (EI, 70 eV, C14H15N): calcd 197.1204; found 197.1204.
DOI: 10.14272/qcipgrgzzutjag-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,5-dimethyl-N-phenylaniline)
title: InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.33–7.28 (m, 2H, HAr), 7.13 (d, J = 7.7 Hz, 1H, HAr), 7.12 (d, J = 1.7 Hz, 1H, HAr), 7.02–6.98 (m, 2H, HAr), 6.95 (tt, J = 7.3, 1.1 Hz, 1H, HAr), 6.81 (dd, J = 7.6, 1.8 Hz, 1H, HAr), 5.38 (s, 1H, NH), 2.33 (s, 3H, CH3), 2.26 (s, 3H, CH3).Impurities: The spectrum contains H-greases as impurities.
DOI: 10.14272/qcipgrgzzutjag-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,5-dimethyl-N-phenylaniline)
title: InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 144.2 (Cq), 141.1 (Cq), 136.6 (Cq), 130.9 (+, CArH), 129.4 (+, 2C, CArH), 125.4 (Cq), 122.9 (+, CArH), 120.4 (+, CArH), 119.6 (+, CArH), 117.5 (+, 2C, CArH), 21.3 (+, CH3), 17.6 (+, CH3).
DOI: 10.14272/qcipgrgzzutjag-uhfffaoysa-n.1
title: 2,5-dimethyl-N-phenylaniline
title: InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

description: This dataset contains experimental data from a sample (2,5-dimethyl-N-phenylaniline, InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) electron ionisation mass spectrometry (EI-MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/qcipgrgzzutjag-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,5-dimethyl-N-phenylaniline)
title: InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3479 (w), 3471 (w), 3461 (w), 3452 (w), 3438 (w), 3429 (w), 3388 (w), 3369 (w), 3361 (w), 3037 (w), 1598 (w), 1553 (w), 1455 (m), 1441 (m), 1417 (s), 1306 (w), 1259 (m), 1241 (w), 1154 (w), 1120 (w), 1058 (w), 1034 (w), 1017 (m), 1007 (m), 960 (w), 902 (w), 885 (w), 799 (w), 759 (vs), 724 (vs), 656 (s), 646 (m), 592 (w), 582 (w), 567 (w), 552 (w), 530 (w), 516 (w), 509 (w), 496 (m), 486 (m), 473 (w), 453 (w), 442 (w), 424 (s), 395 (m), 382 (m) cm–1.
DOI: 10.14272/ngqoimmylxvehx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C76H70N8/c1-73(2,3)53-33-21-47(22-34-53)67-77-68(48-23-35-54(36-24-48)74(4,5)6)80-71(79-67)51-29-41-57(42-30-51)83-63-19-15-13-17-59(63)61-46-66-62(45-65(61)83)60-18-14-16-20-64(60)84(66)58-43-31-52(32-44-58)72-81-69(49-25-37-55(38-26-49)75(7,8)9)78-70(82-72)50-27-39-56(40-28-50)76(10,11)12/h13-46H,1-12H3

description: dataset for mass spectrometry (MS) HRMS–ESI: [M]+ calcd for C76H70N8, 1094.5723; found, 1094.5715.
DOI: 10.14272/ngqoimmylxvehx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C76H70N8/c1-73(2,3)53-33-21-47(22-34-53)67-77-68(48-23-35-54(36-24-48)74(4,5)6)80-71(79-67)51-29-41-57(42-30-51)83-63-19-15-13-17-59(63)61-46-66-62(45-65(61)83)60-18-14-16-20-64(60)84(66)58-43-31-52(32-44-58)72-81-69(49-25-37-55(38-26-49)75(7,8)9)78-70(82-72)50-27-39-56(40-28-50)76(10,11)12/h13-46H,1-12H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 171.8 (Cq, 4CAr), 170.9 (Cq, 2CAr), 156.3 (Cq, 4CAr), 142.2 (Cq, 2CAr), 141.7 (Cq, 2CAr), 136.9 (Cq, 2CAr), 135.2 (Cq, 2CAr), 133.7 (Cq, 4CAr), 130.9 (+, 4CArH), 129.0 (+, 8CArH), 126.9 (+, 4CArH), 126.5 (+, 2CArH), 125.8 (+, 8CArH), 124.1 (Cq, 2CAr), 124.0 (Cq, 2CAr), 120.6 (+, 2CArH), 120.1 (+, 2CArH), 109.9 (+, 2CArH), 100.4 (+, 2CArH), 35.3 (Cq, 4C(CH3)3), 31.4 (+, 12CH3).
DOI: 10.14272/ngqoimmylxvehx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C76H70N8/c1-73(2,3)53-33-21-47(22-34-53)67-77-68(48-23-35-54(36-24-48)74(4,5)6)80-71(79-67)51-29-41-57(42-30-51)83-63-19-15-13-17-59(63)61-46-66-62(45-65(61)83)60-18-14-16-20-64(60)84(66)58-43-31-52(32-44-58)72-81-69(49-25-37-55(38-26-49)75(7,8)9)78-70(82-72)50-27-39-56(40-28-50)76(10,11)12/h13-46H,1-12H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2958 (w), 1604 (w), 1578 (m), 1504 (vs), 1477 (s), 1460 (m), 1441 (vs), 1408 (s), 1366 (vs), 1324 (m), 1303 (m), 1266 (w), 1234 (m), 1190 (m), 1169 (w), 1149 (w), 1106 (w), 1016 (w), 847 (w), 815 (vs), 758 (w), 738 (s), 701 (w), 565 (m), 550 (m) cm–1.
DOI: 10.14272/ngqoimmylxvehx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C76H70N8/c1-73(2,3)53-33-21-47(22-34-53)67-77-68(48-23-35-54(36-24-48)74(4,5)6)80-71(79-67)51-29-41-57(42-30-51)83-63-19-15-13-17-59(63)61-46-66-62(45-65(61)83)60-18-14-16-20-64(60)84(66)58-43-31-52(32-44-58)72-81-69(49-25-37-55(38-26-49)75(7,8)9)78-70(82-72)50-27-39-56(40-28-50)76(10,11)12/h13-46H,1-12H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 9.09 (d, J = 8.5 Hz, 4H), 8.76 (d, J = 8.5 Hz, 8H), 8.25 (s, 2H), 8.18 (d, J = 7.8 Hz, 2H), 7.95 (d, J = 8.5 Hz, 4H), 7.65 (d, J = 8.6 Hz, 8H), 7.61 (d, J = 8.2 Hz, 2H), 7.47 (t, J = 8.1 Hz, 2H), 7.31 (t, J = 7.4 Hz, 2H), 1.44 (s, 36H). Impurities: The spectrum contains a peak from the residual solvent (water, 1.56 ppm).
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2961 (w), 1601 (s), 1578 (w), 1517 (vs), 1503 (vs), 1460 (m), 1411 (s), 1367 (vs), 1356 (vs), 1305 (w), 1289 (w), 1265 (m), 1222 (s), 1204 (w), 1191 (m), 1145 (s), 1108 (w), 1095 (w), 1014 (m), 858 (m), 813 (vs), 704 (w), 694 (w), 581 (s), 567 (w), 547 (s), 504 (m) cm–1.
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.83–8.73 (m, 2H), 8.71–8.63 (m, 4H), 7.65–7.55 (m, 4H), 7.29–7.17 (m, 2H), 1.42 (s, 18H).
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 440 (100), 439 (8), 438 (6).HRMS–FAB (m/z): [M + H]+ calcd for C29H31N3F1, 440.2502; found, 440.2504.
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = –107.5.
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n.1
title: 2,4-bis(4-(tert-butyl)phenyl)-6-(4-fluorophenyl)-1,3,5-triazine
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/htkzmqnhdrkihz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H30FN3/c1-28(2,3)22-13-7-19(8-14-22)25-31-26(20-9-15-23(16-10-20)29(4,5)6)33-27(32-25)21-11-17-24(30)18-12-21/h7-18H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 171.7 (Cq, 2CAr), 170.5 (Cq, CAr), 165.8 (Cq, d, 1JCF = 252.6 Hz, CAr), 156.2 (Cq, 2CAr), 133.7 (Cq, 2CAr), 132.8 (d, 4JCF = 2.8 Hz), 131.3 (+, d, 3JCF = 9.0 Hz, 2CArH), 128.9 (+, 4CArH), 125.7 (+, 4CArH), 115.7 (+, d, 2JCF = 21.6 Hz, 2CArH), 35.2 (Cq, 2C(CH3)3), 31.4 (+, 6CH3).
DOI: 10.14272/nlaaibgzdqfcao-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine)
title: InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 173.4 (Cq, 2CAr), 172.1 (Cq, CAr), 157.5 (Cq, 2CAr), 131.9 (Cq, 2CAr), 129.4 (+, 4CArH), 125.9 (+, 4CArH), 35.4 (Cq, 2C(CH3)3), 31.3 (+, 6CH3).
DOI: 10.14272/nlaaibgzdqfcao-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine)
title: InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 381 (29), 380 (100).HRMS–FAB (m/z): [M + H]+ calcd for C23H27N335Cl1, 380.1894; found, 380.1891.
DOI: 10.14272/nlaaibgzdqfcao-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine)
title: InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2963 (w), 2952 (w), 1608 (w), 1571 (w), 1524 (vs), 1482 (vs), 1412 (w), 1394 (w), 1368 (vs), 1322 (m), 1313 (m), 1299 (m), 1265 (w), 1245 (vs), 1193 (m), 1162 (w), 1105 (w), 1075 (m), 1018 (w), 850 (s), 829 (m), 807 (vs), 722 (m), 703 (m), 659 (w), 545 (s) cm–1.
DOI: 10.14272/nlaaibgzdqfcao-uhfffaoysa-n.1
title: 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine
title: InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3

description: This dataset contains experimental data from a sample (2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine, InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/nlaaibgzdqfcao-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine)
title: InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.58–8.50 (m, 4H), 7.59–7.53 (m, 4H), 1.39 (s, 18H).
DOI: 10.14272/ycpbcvtubbbnjj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5,11-dihydroindolo[3,2-b]carbazole)
title: InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10,19-20H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 257 (18), 256 (100), 255 (25).HRMS–EI (m/z): [M]+ calcd for C18H12N2, 256.1000; found, 256.1001.