cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6347082
title: Kryptolebias brasiliensis decontaminated FSCR

description: .
DOI: 10.5281/zenodo.6347132
title: Hypoplectrus randallorum decontaminated FSCR

description: .
DOI: 10.5281/zenodo.6347131
title: Hypoplectrus randallorum decontaminated FSCR

description: .
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, Chloroform-d [77.0 ppm], ppm) δ = 207.8 (Cq), 141.2 (Cq), 136.8(Cq), 129.2 (CH, 2C), 129.1(Cq), 128.1 (CH, 2C), 127.1 (CH), 50.3 (CH), 45.8 (CH2), 37.7 (CH2), 37.1 (CH2), 31.1 (CH), 29.8 (CH3), 21.2 (CH3), 20.6 (CH3). Impurity: 198.8 (unknown).
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.35–7.32 (m, 2H), 7.29–7.26 (m, 1H), 7.14–7.11 (m, 2H), 3.37 (dd, J = 5.5 Hz, J = 7.0 Hz, 2H), 3.20 (dd, J = 4.6 Hz, J = 6.4 Hz, 2H), 3.02 (ddd, J = 4.6 Hz, J = 9.2 Hz, J = 18.6 Hz, 1H), 2.51 (dd, J = 4.6 Hz, J = 16.5 Hz, 1H), 2.35 (dd, J = 8.9 Hz, J = 16.5 Hz, 1H), 2.15 (s, 3H), 1.62 (dp, J = 9.8 Hz, J = 6.6 Hz, 1H), 1.10 (d, J = 6.7 Hz, 3H), 0.88 (d, J = 6.7 Hz, 3H).Impurities: This spectrum contains methylene chloride at 5.29 ppm.
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n.1
title: 4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: This dataset contains experimental data from a sample (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one, InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C), m/z (%): 306 (38) [M]+, 263 (100), 221 (53), 191 (10), 113 (15), 69 (18).HRMS–EI (C17H22OS2) (m/z): [M]+ Calcd 306.1107; Found 306.1108.
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ajupulbpxrszpk-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-[1,3-dithiolan-2-ylidene(phenyl)methyl]-5-methylhexan-2-one)
title: InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2965 (w), 2925 (w), 2904 (w), 2887 (w), 2867 (w), 1710 (vs), 1599 (w), 1587 (w), 1574 (w), 1487 (w), 1472 (w), 1452 (w), 1441 (w), 1415 (w), 1405 (m), 1384 (w), 1370 (s), 1319 (w), 1302 (w), 1278 (s), 1252 (w), 1234 (w), 1200 (w), 1170 (s), 1133 (w), 1111 (w), 1071 (m), 1054 (w), 1027 (w), 999 (w), 982 (w), 967 (w), 936 (w), 916 (w), 890 (w), 870 (w), 843 (w), 816 (w), 793 (w), 749 (vs), 703 (vs), 680 (m), 666 (w), 652 (m), 613 (w), 591 (m), 564 (m), 523 (vw), 501 (s), 466 (w), 436 (w), 425 (w), 398 (w), 377 (w) cm–1.
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n.1
title: 1-(2-((1,3-dithiolan-2-ylidene)(phenyl)methyl)cyclohexyl)ethan-1-one
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2922 (s), 2897 (w), 2850 (w), 2846 (w), 1707 (vs), 1667 (w), 1598 (w), 1582 (w), 1572 (w), 1485 (w), 1446 (w), 1439 (m), 1417 (m), 1370 (w), 1346 (m), 1307 (w), 1295 (w), 1278 (m), 1244 (w), 1230 (w), 1208 (w), 1160 (m), 1111 (m), 1071 (w), 1028 (w), 986 (w), 959 (w), 928 (w), 890 (w), 874 (w), 843 (m), 829 (w), 803 (w), 778 (w), 761 (s), 705 (vs), 683 (s), 650 (w), 613 (w), 605 (w), 582 (m), 562 (vw), 507 (m), 476 (w), 449 (w), 425 (vw), 399 (m) cm–1.
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C), m/z (%): 318 (100) [M]+, 290 (50), 257 (12), 225 (27), 207 (19), 205 (36), 191 (11), 43 (18). HRMS–EI (C18H22OS2) (m/z): [M]+ Calcd for 318.1112; Found 318.1108.
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.35–7.28 (m, 3H), 7.10–7.08 (m, 2H), 3.46–3.36 (m, 2H), 3.24 (ddd, J = 6.9 Hz, J = 5.5 Hz, J = 1.3 Hz, 2H), 2.98 (ddd, J = 11.6 Hz, J = 10.9 Hz, J = 3.6 Hz, 1H), 2.28 (td, J = 11.5 Hz, J = 3.4 Hz, 1H), 2.00 (s, 3H), 1.82–1.72 (m, 3H), 1.39–1.12 (m, 5H).
DOI: 10.14272/rrikwyiwysettc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, Chloroform-d [77.0 ppm], ppm) δ = 211.7 (Cq), 141.4 (Cq), 135.1 (Cq), 130.4 (Cq), 129.5 (CH, 2C), 128.3 (CH, 2C), 127.2 (CH), 54.7 (CH), 47.7 (CH), 37.9 (CH2), 37.2 (CH2), 30.2 (CH2), 29.9 (CH2), 28.2 (CH3), 26.0 (CH2), 25.5 (CH2).
DOI: 10.14272/rcaljrzmlqrhlx-uhfffaoysa-n.1
title: 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenyl-pentan-2-one
title: InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3

description: This dataset contains experimental data from a sample (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one, InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/rcaljrzmlqrhlx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one)
title: InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3074 (vw), 3054 (vw), 3026 (vw), 2951 (w), 2938 (w), 2922 (w), 2890 (w), 2866 (w), 1707 (vs), 1596 (w), 1585 (w), 1571 (w), 1487 (w), 1451 (w), 1435 (w), 1418 (w), 1401 (m), 1363 (m), 1350 (m), 1322 (w), 1285 (w), 1269 (w), 1248 (w), 1169 (s), 1156 (w), 1135 (w), 1088 (w), 1071 (w), 1028 (w), 984 (w), 962 (w), 933 (w), 915 (vw), 873 (vw), 850 (m), 807 (w), 796 (w), 747 (vs), 703 (vs), 683 (w), 669 (w), 642 (s), 591 (m), 541 (m), 482 (w), 473 (w), 462 (w), 418 (w), 397 (w) cm–1.
DOI: 10.14272/rcaljrzmlqrhlx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one)
title: InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 90 °C), m/z (%): 278 (29) [M]+, 221 (100), 128 (12), 121 (10), 115 (16), 91 (10), 61 (11).HRMS–EI (C15H18OS2) (m/z): [M]+ Calcd 278.0794; Found 278.0792.
DOI: 10.14272/rcaljrzmlqrhlx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one)
title: InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.53–7.50 (m, 2H), 7.47–7.44 (m, 1H), 7.27 (td, J = 1.2 Hz, J = 3.4 Hz, 2H), 3.59–3.52 (m, 3H), 3.38 (td, J = 4.9 Hz, J = 6.1 Hz, 2H), 2.69 (dd, J = 6.1 Hz, J = 16.2 Hz, 1H), 2.43 (dd, J = 16.3 Hz, J = 8.1 Hz, 1H), 2.25 (s, 3H), 1.21 (d, J = 7.0 Hz, 3H).Impurities: This spectrum contains cyclohexane at 1.60 ppm.
DOI: 10.14272/rcaljrzmlqrhlx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one)
title: InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, Chloroform-d [77.0 ppm], ppm) δ = 207.4, 140.6, 134.4, 130.7, 129.1 (2C), 128.1 (2C), 127.1, 48.9, 37.8, 37.3, 37.1, 30.0, 18.9. Impurities: This spectrum contains cyclohexane at 26.2 ppm.
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n.2
title: 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenyl-pentan-2-ol
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: This dataset contains experimental data from a sample (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol, InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3). 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/iecvtznndjqhmf-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol)
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 50 °C), m/z (%): 280 (40) [M]+, 221 (95), 175 (17), 121 (11), 118 (35), 105 (39), 91 (15), 84 (100), 69 (11), 51 (33).HRMS–EI (C15H20OS2) (m/z): [M]+ Calcd 280.0956; Found 280.0957.
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol)
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) Diastereomer 1: 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.38 – 7.33 (m, 2H), 7.32 – 7.25 (m, 1H), 7.17 (dd, J = 7.0, 1.8 Hz, 2H), 3.95 – 3.87 (m, 1H), 3.45 – 3.36 (m, 2H), 3.26 – 3.18 (m, 2H), 3.01 (h, J = 7.1 Hz, 1H), 1.69 (s, br, OH), 1.63 (dt, J = 13.8, 7.6 Hz, 1H), 1.23 (d, J = 6.2 Hz, 3H), 1.03 (d, J = 6.8 Hz, 3H).Diastereomer 2: 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.38 – 7.33 (m, 2H), 7.32 – 7.25 (m, 1H), 7.07 (dd, J = 6.9, 1.9 Hz, 1H), 4.05 – 3.93 (m, 1H), 3.45 – 3.36 (m, 2H), 3.26 – 3.18 (m, 2H), 3.13–3.04 (m, 1H), 2.26 (s, br, OH), 1.46 – 1.35 (m, 1H), 1.20 (d, J = 6.2 Hz, 3H), 1.02 (d, J = 6.7 Hz, 3H).Impurities: This spectrum contains cyclohexane at 1.43 ppm.
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol)
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3373 (w), 3075 (vw), 3053 (vw), 3029 (vw), 2961 (m), 2924 (m), 2868 (w), 1598 (w), 1581 (w), 1489 (w), 1453 (w), 1439 (w), 1421 (w), 1400 (w), 1371 (w), 1330 (w), 1302 (w), 1278 (m), 1244 (w), 1147 (w), 1122 (m), 1105 (m), 1072 (w), 1030 (m), 1003 (w), 982 (w), 948 (w), 916 (w), 887 (w), 843 (m), 748 (s), 701 (vs), 669 (w), 645 (m), 613 (w), 599 (w), 569 (w), 543 (w), 494 (w), 449 (w), 422 (vw) cm–1.
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol)
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) Diastereomer 1:13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 140.8, 133.6, 132.6, 129.5 (2C), 128.1 (2C), 127.1, 66.4, 44.9, 39.2, 37.2 (2C), 24.0, 19.1.Diastereomer 2:13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 140.4, 133.9, 131.7, 129.4 (2C), 128.2 (2C), 127.2, 66.1, 44.7, 39.2, 37.8 (2C), 23.3, 19.9.Impurities: This spectrum contains cyclohexane at 26.8 ppm.
DOI: 10.14272/loemjxfengairj-uhfffaoysa-n.1
title: 3-((1,3-dithiolan-2-ylidene)(phenyl)methyl)cyclopentan-1-one
title: InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2

description: This dataset contains experimental data from a sample (InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/loemjxfengairj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 160 °C), m/z (%): 276 (100) [M]+, 192 (67), 172 (10), 147 (16), 115 (14).HRMS–EI (C15H16OS2) (m/z): [M]+ Calcd 276.0637; Found 276.0636.
DOI: 10.14272/loemjxfengairj-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.39–7.35 (m, 2H), 7.33–7.29 (m, 1H), 7.11–7.09 (m, 2H), 3.48–3.40 (m, 3H), 3.23 (td, J = 5.6 Hz, 2H), 2.40 (ddd, J = 18.1 Hz, J = 7.0 Hz, J = 1.9 Hz, 1H), 2.27–2.21 (m, 1H), 2.18–2.09 (m, 2H), 1.95 (ddd, J = 1.1 Hz, J = 12.1 Hz, J = 18.2 Hz, 1H), 1.71–1.63 (m, 1H).
DOI: 10.14272/loemjxfengairj-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, Chloroform-d [77.0 ppm], ppm) δ = 217.7, 139.9, 135.9, 129.5 (2C), 128.4 (2C), 128.0, 127.4, 44.8, 42.8, 38.0, 37.9, 37.2, 27.5.
DOI: 10.14272/loemjxfengairj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2958 (w), 2925 (w), 2890 (w), 1734 (vs), 1596 (w), 1581 (w), 1486 (w), 1455 (w), 1436 (w), 1419 (w), 1400 (w), 1343 (w), 1279 (w), 1244 (w), 1230 (w), 1167 (w), 1153 (s), 1139 (s), 1106 (w), 1081 (w), 1068 (w), 1024 (w), 1000 (w), 983 (w), 956 (w), 929 (w), 846 (m), 812 (w), 792 (w), 768 (w), 734 (w), 704 (vs), 680 (m), 666 (m), 605 (m), 571 (w), 517 (w), 484 (vs), 432 (w), 401 (w) cm–1.
DOI: 10.3886/e164742
title: T32 Program Evaluation

description: This repository includes data collection instruments and survey data for the paper: <b>Developing evidence-based resources for evaluating postgraduate trainees in the biomedical sciences. </b>Data collection instruments include a logic model template, interview guides, and survey template used to collect data from T32/R25 program directors. The survey data reflects responses from program directors. <br><br><br><br><br>
description: Response Rates: 81.81%<br>
description: Presence of Common Scales: Ratings (1-5) and rankings (1-6)<br>
description: Purposive sampling<br>
description: web-based survey;
DOI: 10.3886/e164742v1
title: T32 Program Evaluation

description: This repository includes data collection instruments and survey data for the paper: <b>Developing evidence-based resources for evaluating postgraduate trainees in the biomedical sciences. </b>Data collection instruments include a logic model template, interview guides, and survey template used to collect data from T32/R25 program directors. The survey data reflects responses from program directors. <br><br><br><br><br>
description: Response Rates: 81.81%<br>
description: Presence of Common Scales: Ratings (1-5) and rankings (1-6)<br>
description: Purposive sampling<br>
description: web-based survey;
DOI: 10.24400/802406/dt5d-27ak
title: ISEE3/ICE Radio Astronomy : 3-D Radio Sources (30 - 1980 kHz)

description: This data set contains the power spectral density from ISEE3 ICE instrument (S and Z receivers, 30 - 1980 kHz frequency range)
DOI: 10.24400/802406/psep-17ag
title: ISEE3 orbit data (GSE frame, 1 min resolution)

description: This data set contains the ISEE3 GSE position and velocity at 1 min resolution.
DOI: 10.34740/kaggle/dsv/3284117
title: Mahanagar Yatayat Dataset
DOI: 10.5281/zenodo.6347190
title: Antarctic Peninsula MAR 3-hourly data

description: Modèle Atmosphérique Régionale (MAR), was utilized Wille et al. (2022, Commun. Earth Environ.) . The files contain surface melt, runoff, surface temperature at three-hour timesteps. A description of MAR from Wille et al. (2022) follows as... MAR is a regional climate model specifically designed for simulating polar climate. MAR atmospheric dynamics are based on the hydrostatic approximation of the primitive equations. The exchanges between the atmospheric part of MAR and the surface are handled by the complex energy-balance snow model SISVAT, based on CROCUS that explicitly simulates 30 layers resolving the 20 first meters of snow or ice. The surface module notably represents percolation of meltwater and its retention into the snowpack. Runoff occurs when the snowpack can no longer absorb additional liquid water (i.e., snowpack water content exceeding 5% or surface liquid water over bare ice or an ice-lense layer). MARv3.11 was run at a resolution of 7.5 km and was forced by 6-hourly outputs of the latest ERA5 reanalysis between 1979 and March 2020. The first year was discarded as spin-up.
DOI: 10.5281/zenodo.6347189
title: Antarctic Peninsula MAR 3-hourly data

description: Modèle Atmosphérique Régionale (MAR), was utilized Wille et al. (2022, Commun. Earth Environ.) . The files contain surface melt, runoff, surface temperature at three-hour timesteps. A description of MAR from Wille et al. (2022) follows as... MAR is a regional climate model specifically designed for simulating polar climate. MAR atmospheric dynamics are based on the hydrostatic approximation of the primitive equations. The exchanges between the atmospheric part of MAR and the surface are handled by the complex energy-balance snow model SISVAT, based on CROCUS that explicitly simulates 30 layers resolving the 20 first meters of snow or ice. The surface module notably represents percolation of meltwater and its retention into the snowpack. Runoff occurs when the snowpack can no longer absorb additional liquid water (i.e., snowpack water content exceeding 5% or surface liquid water over bare ice or an ice-lense layer). MARv3.11 was run at a resolution of 7.5 km and was forced by 6-hourly outputs of the latest ERA5 reanalysis between 1979 and March 2020. The first year was discarded as spin-up.
DOI: 10.5281/zenodo.5647996
title: Deformation of post-spinel under the lower mantle conditions

description: Data used in <strong>Deformation of post-spinel under the lower mantle conditions</strong> F. Xu<sup>1, 2</sup>, D. Yamazaki<sup>1</sup>, S. A. Hunt<sup>3, 2</sup>, N. Tsujino<sup>1</sup>, Y. Higo<sup>4</sup>, Y. Tange<sup>4</sup>, K. Ohara<sup>4</sup>, D. P. Dobson<sup>2</sup> <sup>1</sup> Institute for Planetary Materials, Okayama University, Misasa, 682-0193 Tottori, Japan <sup>2</sup> Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom <sup>3</sup> Department of Materials, University of Manchester, Sackville Street Building, Manchester M1 3BB, United Kingdom <sup>4</sup> Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Hyogo 679-5198, Japan
DOI: 10.5281/zenodo.5647995
title: Deformation of post-spinel under the lower mantle conditions

description: Data used in <strong>Deformation of post-spinel under the lower mantle conditions</strong> F. Xu<sup>1, 2</sup>, D. Yamazaki<sup>1</sup>, S. A. Hunt<sup>3, 2</sup>, N. Tsujino<sup>1</sup>, Y. Higo<sup>4</sup>, Y. Tange<sup>4</sup>, K. Ohara<sup>4</sup>, D. P. Dobson<sup>2</sup> <sup>1</sup> Institute for Planetary Materials, Okayama University, Misasa, 682-0193 Tottori, Japan <sup>2</sup> Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom <sup>3</sup> Department of Materials, University of Manchester, Sackville Street Building, Manchester M1 3BB, United Kingdom <sup>4</sup> Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Hyogo 679-5198, Japan