cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d0y2g
title: CCDC 2205435: Experimental Crystal Structure Determination

description: Related Article: Si-Hua Hou, Xuan Yu, Rui Zhang, Cole Wagner, Guangbin Dong|2022|J.Am.Chem.Soc.|144|22159|doi:10.1021/jacs.2c09814
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cgxzr
title: CCDC 2189095: Experimental Crystal Structure Determination

description: Related Article: Ji-Tun Chen, Han Yan, Tian-Tian Wang, Teng-Da Zhou, Wen-Bin Sun|2022|Inorg.Chem.|61|19097|doi:10.1021/acs.inorgchem.2c02474
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d0y3h
title: CCDC 2205436: Experimental Crystal Structure Determination

description: Related Article: Si-Hua Hou, Xuan Yu, Rui Zhang, Cole Wagner, Guangbin Dong|2022|J.Am.Chem.Soc.|144|22159|doi:10.1021/jacs.2c09814
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d1tmx
title: CCDC 2206289: Experimental Crystal Structure Determination

description: Related Article: Roman S. Malykhin, Yaroslav D. Boyko, Yulia V. Nelyubina, Sema L. Ioffe, Alexey Yu. Sukhorukov|2022|J.Org.Chem.|87|16617|doi:10.1021/acs.joc.2c02281
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d1tny
title: CCDC 2206290: Experimental Crystal Structure Determination

description: Related Article: Roman S. Malykhin, Yaroslav D. Boyko, Yulia V. Nelyubina, Sema L. Ioffe, Alexey Yu. Sukhorukov|2022|J.Org.Chem.|87|16617|doi:10.1021/acs.joc.2c02281
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d537y
title: CCDC 2209439: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Linlin Wu, Hao Wang|2022|J.Am.Chem.Soc.|144|22446|doi:10.1021/jacs.2c11204
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cms60
title: CCDC 2193752: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cmryq
title: CCDC 2193744: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cn17b
title: CCDC 2194001: Experimental Crystal Structure Determination

description: Related Article: Zixuan Zhang, Zhiyu Wang, Herman H.-Y. Sung, Ian D. Williams, Zhi-Gang Yu, Haipeng Lu|2022|J.Am.Chem.Soc.|144|22242|doi:10.1021/jacs.2c10309
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c1ltv
title: CCDC 2176287: Experimental Crystal Structure Determination

description: Related Article: Niklas Geue, Tom S. Bennett, Alexandra-Ana-Maria Arama, Lennart A. I. Ramakers, George F. S. Whitehead, Grigore A. Timco, P. B. Armentrout, Eric J. L. McInnes, Neil A. Burton, Richard E. P. Winpenny, Perdita E. Barran|2022|J.Am.Chem.Soc.|144|22528|doi:10.1021/jacs.2c07522
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c1lwx
title: CCDC 2176289: Experimental Crystal Structure Determination

description: Related Article: Niklas Geue, Tom S. Bennett, Alexandra-Ana-Maria Arama, Lennart A. I. Ramakers, George F. S. Whitehead, Grigore A. Timco, P. B. Armentrout, Eric J. L. McInnes, Neil A. Burton, Richard E. P. Winpenny, Perdita E. Barran|2022|J.Am.Chem.Soc.|144|22528|doi:10.1021/jacs.2c07522
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cmxlj
title: CCDC 2193888: Experimental Crystal Structure Determination

description: Related Article: Lixin Cao, Zhengguo Cai, Mingyuan Li|2022|Organometallics|41|3538|doi:10.1021/acs.organomet.2c00389
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.ccwyd7f
title: CCDC 832605: Experimental Crystal Structure Determination

description: Related Article: Zhongke Shen, Qin Tang, Wei Jiao, Huawu Shao, Xiaofeng Ma|2022|J.Org.Chem.|87|16736|doi:10.1021/acs.joc.2c02390
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.34856/eos-rs_202210_philippines_earthquake
title: EOS-RS Damage Proxy Map: Northern Luzon, Philippines, Earthquake, 25 Oct 2022

description: The Earth Observatory of Singapore - Remote Sensing Lab (EOS-RS) created preliminary Damage Proxy Maps (DPM) covering northern Luzon in the Philippines due to the Mw 6.4 earthquake that occurred on 25 Oct 2022 east of Dolores. These maps were derived from synthetic aperture radar (SAR) images acquired by the Copernicus Sentinel-1 satellites operated by the European Space Agency (ESA).
DOI: 10.5281/zenodo.6979725
title: Anomalies in Microservice Architecture (train-ticket) based on version configurations

description: The work contains ten datasets containing monitoring data (logs, Jaeger Traces and Prometheus KPI data). The datasets contain monitoring data from train-ticket, a benchmark system for microservices. The dataset includes a short description with explanations of identified anomalies. The structure of the folder is as follows: <strong>&lt;changed-microservice&gt;_&lt;third-party-library&gt;_&lt;version&gt;_&lt;date-when-data-was-collected&gt;</strong> Each folder stores the respective data: Logs: original log file: LOGS_&lt;change-microservice&gt;_&lt;third-party-library&gt;_&lt;Version&gt;.txt parsed log files required for Loglizer (anomaly detection technique): LOGS_&lt;change-microservice&gt;_&lt;third-party-library&gt;_&lt;Version&gt;.txt_structured.csv LOGS_&lt;change-microservice&gt;_&lt;third-party-library&gt;_&lt;Version&gt;.txt_templates.csv KPI Data: Monitoring_&lt;change-microservice&gt;_&lt;third-party-library&gt;_&lt;Version&gt; Traces: Traces_&lt;change-microservice&gt;_&lt;third-party-library&gt;_&lt;Version&gt;
DOI: 10.5281/zenodo.7456224
title: Agro-climatic sensitivity data of Proso Millet (Panicum miliaceum L.) in Sri Lanka

description: Proso millet (<em>Panicum miliaceum </em>L.) is a drought tolerant underutilised crop cultivated in rainfed subsistence agricultural systems. Proso millet yields were simulated using a calibrated Agricultural Production Systems Simulator (APSIM) model for 95 locations in Sri Lanka. The yield maps were generated according to the Inverse Distance Weighting (IDW) model using ArcMap 10.7.1. The database contains Proso millet yield maps for current climate and yield change under 5 hypothetical climate change scenarios; 1<sup>o</sup>C, 1.5 <sup>o</sup>C and 2 <sup>o</sup>C temperature increments, 25% rainfall increment, and 25% rainfall reduction compared to the baseline (1980-2009) climate.
DOI: 10.5281/zenodo.7456223
title: Agro-climatic sensitivity data of Proso Millet (Panicum miliaceum L.) in Sri Lanka

description: Proso millet (<em>Panicum miliaceum </em>L.) is a drought tolerant underutilised crop cultivated in rainfed subsistence agricultural systems. Proso millet yields were simulated using a calibrated Agricultural Production Systems Simulator (APSIM) model for 95 locations in Sri Lanka. The yield maps were generated according to the Inverse Distance Weighting (IDW) model using ArcMap 10.7.1. The database contains Proso millet yield maps for current climate and yield change under 5 hypothetical climate change scenarios; 1<sup>o</sup>C, 1.5 <sup>o</sup>C and 2 <sup>o</sup>C temperature increments, 25% rainfall increment, and 25% rainfall reduction compared to the baseline (1980-2009) climate.
DOI: 10.25403/upresearchdata.21710414
title: Knowledge attitudes and perceptions of the drivers of policy makers and social protection in Zimbabwe

description: This is dataset for a qualitative study that was collected to investigate the drivers of policy change and their implication for social protection policy changes in Zimbabwe.The kaleidoscope model for policy change methodology was adopted to explore how the government identified social protection policies and selected policy instruments and what influenced the policy choice. Several objectives were taken into task namely : 1) investigating the drivers of policy change,2) establishing how policy actors’ levels of knowledge, attitudes and perceptions affected the policy process over a period of time and 3) establishing how policymakers' perceptions of threats and coping appraisals of beneficiaries influenced policy instruments selection.
DOI: 10.25403/upresearchdata.21710414.v1
title: Knowledge attitudes and perceptions of the drivers of policy makers and social protection in Zimbabwe

description: This is dataset for a qualitative study that was collected to investigate the drivers of policy change and their implication for social protection policy changes in Zimbabwe.The kaleidoscope model for policy change methodology was adopted to explore how the government identified social protection policies and selected policy instruments and what influenced the policy choice. Several objectives were taken into task namely : 1) investigating the drivers of policy change,2) establishing how policy actors’ levels of knowledge, attitudes and perceptions affected the policy process over a period of time and 3) establishing how policymakers' perceptions of threats and coping appraisals of beneficiaries influenced policy instruments selection.
DOI: 10.34856/eos-rs_202210_india_floods
title: EOS-RS Flood Proxy Maps: Uttar Pradesh, India, Floods, Oct 2022

description: The Earth Observatory of Singapore - Remote Sensing Lab (EOS-RS) created preliminary Flood Proxy Maps (FPM) covering Uttar Pradesh, India due to heavy rains. These maps were derived from synthetic aperture radar (SAR) images acquired by the Copernicus Sentinel-1 satellites operated by the European Space Agency (ESA) and ALOS-2 satellites operated by the Japan Aerospace Exploration Agency (JAXA).
DOI: 10.25919/5f430ed2865bf
title: Global gridded nutrient production and nutrient diversity

description: This data collection contains data produced for the Lancet Planetary Health publication Herrero et al. 2017: Farming and the geography of nutrient production for human use: a transdisciplinary analysis. Volume 1, Issue 1, April 2017, Pages e33-e42. The collection includes data for production levels of 41 major crops, seven livestock, and 14 aquaculture and fish products and vitamin A, vitamin B₁₂, folate, iron, zinc, calcium, calories, and protein as well as food production diversity indices; the Shannon diversity index [H], the Modified Functional Attribute Diversity (MFAD), and species richness [S].
DOI: 10.5281/zenodo.7453055
title: Digital rock dataset for use in machine learning research of permeability prediction

description: Datasets and codes for the paper "Hierarchical homogenization with deep-learning-based surrogate model for rapid estimation of effective permeability from digital rocks"
DOI: 10.34856/eos-rs_202210_nepal_avalanche
title: EOS-RS Damage Proxy Maps: Manaslu, Nepal, Avalanche, Oct 2022

description: The Earth Observatory of Singapore - Remote Sensing Lab (EOS-RS) created preliminary Damage Proxy Maps (DPM) covering Manaslu, Nepal due to avalanches that occurred between 12 Sep 2022 and 5 Oct 2022. These maps were derived from synthetic aperture radar (SAR) images acquired by the Copernicus Sentinel-1 satellites operated by the European Space Agency (ESA).
DOI: 10.6084/m9.figshare.21749393.v1
title: Data (cleaned).csv

description: PISA Reading 2018
DOI: 10.6084/m9.figshare.21749393
title: Data (cleaned).csv

description: PISA Reading 2018
DOI: 10.6084/m9.figshare.21749390
title: Data (raw).csv

description: PISA reading 2018 raw
DOI: 10.6084/m9.figshare.21749390.v1
title: Data (raw).csv

description: PISA reading 2018 raw
DOI: 10.25403/upresearchdata.21716951
title: Pot trial of wheat and tomato with the addition of a non-ionic surfactant and under deficit irrigation

description: This data record the results and analysis of a pot trial that was carried out under controlled environmental conditions. This was designed to observe the effects of the addition of a non-ionic surfactant (NIS) and deficit irrigation on the growth parameters of wheat and tomato crops. The irrigation rates were set from a controlled (well irrigated field capacity) to varying degrees of deficit. The growth parameters followed the key aspects of plant development from germination, in season to post harvest biomass readings. The application of the NIS followed controlled, recommended and above average rates to observe any effects on crop physiology.
DOI: 10.25403/upresearchdata.21716951.v1
title: Pot trial of wheat and tomato with the addition of a non-ionic surfactant and under deficit irrigation

description: This data record the results and analysis of a pot trial that was carried out under controlled environmental conditions. This was designed to observe the effects of the addition of a non-ionic surfactant (NIS) and deficit irrigation on the growth parameters of wheat and tomato crops. The irrigation rates were set from a controlled (well irrigated field capacity) to varying degrees of deficit. The growth parameters followed the key aspects of plant development from germination, in season to post harvest biomass readings. The application of the NIS followed controlled, recommended and above average rates to observe any effects on crop physiology.
DOI: 10.5281/zenodo.7456226
title: Metabolic biomarkers for diagnosis of germinoma

description: Global metabolic profiles of cerebrospinal fluid (CSF) in 57 patients (20 germinoma, 22 non-iGCT, 4 NGGCT) were evaluated by metabolomics.
DOI: 10.5281/zenodo.7456227
title: Metabolic biomarkers for diagnosis of germinoma

description: Global metabolic profiles of cerebrospinal fluid (CSF) in 57 patients (20 germinoma, 22 non-iGCT, 4 NGGCT) were evaluated by metabolomics.
DOI: 10.5281/zenodo.7456296
title: Metabolic biomarkers for diagnosis of germinoma

description: Global metabolic profiles of cerebrospinal fluid (CSF) in 57 patients (20 germinoma, 22 non-iGCT, 4 NGGCT) were evaluated by metabolomics.
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = -58.40.
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.70–7.63 (m, 2H), 7.55–7.46 (m, 3H), 7.46–7.38 (m, 3H), 7.33–7.20 (m, 7H), 7.06 (td, J = 7.6, 1.3 Hz, 1H), 6.87 (td, J = 7.8, 1.6 Hz, 1H), 6.57 (dd, J = 8.0, 1.2 Hz, 1H), 6.08 (d, J = 14.1 Hz, 1H), 4.54 (d, J = 14.1 Hz, 1H). Impurities: spectrum contains signals of cyclohexane (1.44 ppm) and further signals in the aromatic range which can be assigned to rotamers. The yield has been adjusted accordingly.
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n.1
title: N-benzyl-N-(2-(phenylethynyl)phenyl)-2-(trifluoromethyl)benzamide
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: This dataset contains experimental data from a sample (InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F 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/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 100 °C), m/z (%): 455 (17) [M]+, 331 (18), 282 (29), 243 (18), 231 (32), 181 (100), 173 (52), 131 (63).
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 168.2 (Cq), 142.6 (Cq), 136.6 (Cq), 134.9 (q, J = 2.3 Hz, Cq), 132.9 (+, CH), 131.9 (+, CH, 2C), 131.3 (+, CH), 130.8 (+, CH), 130.1 (q, J = 313.7 Hz, Cq, CF3),129.6 (+, CH, 2C), 129.2 (+, CH), 129.0 (+, CH), 128.9 (+, CH), 128.8 (+, CH, 2C), 128.4 (+, CH, 2C), 127.9 (+, CH), 127.7 (+, CH), 127.5 (q, J = 31.6 Hz, Cq), 127.4 (+, CH), 126.5 (q, J = 4.5 Hz, +, CH), 122.7 (q, J = 1.8 Hz, Cq), 122.6 (Cq), 96.4 (Cq), 86.2 (Cq), 51.5 (–, CH2).
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3064 (vw), 3031 (vw), 2929 (vw), 1653 (vs), 1604 (w), 1584 (w), 1568 (w), 1496 (s), 1480 (m), 1448 (w), 1387 (s), 1358 (w), 1313 (vs), 1272 (s), 1256 (m), 1211 (w), 1169 (vs), 1128 (vs), 1113 (vs), 1078 (m), 1057 (vs), 1034 (vs), 1000 (w), 967 (w), 958 (w), 911 (w), 887 (w), 877 (w), 841 (w), 820 (w), 754 (vs), 720 (s), 698 (vs), 688 (vs), 657 (s), 643 (m), 623 (s), 596 (m), 586 (m), 557 (m), 528 (w), 511 (s), 501 (m), 487 (w), 432 (w), 414 (m), 387 (m) cm–1.
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lqjaqjsxwkwjfu-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vtmrkjsiecofjl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H14F3NO/c23-22(24,25)19-12-6-5-11-18(19)21(27)26-20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,(H,26,27)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.59 (d, J = 8.3 Hz, 1H), 8.33 (bs, 1H), 7.80 (dd, J = 1.0 Hz, J = 7.3 Hz, 1H), 7.75 (d, J = 7.2 Hz, 1H), 7.69–7.61 (m, 2H), 7.56 (dd, J = 1.4 Hz, J = 7.8 Hz, 1H), 7.43 (td, J = 8.0 Hz, J = 1.6 Hz, 1H), 7.40–7.37 (m, 2H), 7.35–7.30 (m, 3H), 7.17 (td, J = 1.1 Hz, J = 7.6 Hz, 1H). Impurities: spectrum contains traces of grease (1.26 ppm), cyclohexane (1.43 ppm) and water (1.55 ppm), as well as signals in the atomatic area probably coming from rotamers.