cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7924/r4f47t77k
title: Data from: Clinicopathologic characteristics of melanoma in Parkinson's disease patients

description: Patients with Parkinson's disease are at high risk for developing melanoma, though current literature lacks details on the associated clinicopathologic characteristics. Our retrospective case-control study aimed to guide skin cancer surveillance recommendations for Parkinson's disease patients, focusing on tumor site. Our study included 70 adults with concurrent diagnoses of Parkinson's disease and melanoma from January 1, 2007 to January 1, 2020 at Duke University, and 102 age-, sex-, and race-matched controls. The head/neck region accounted for 39.5% of invasive melanomas in the case group compared to 25.3% in the control group, as well as 48.7% of non-invasive melanomas in the case group compared to 39.1% in the control group. Of note, 50% of metastatic melanomas in Parkinson's disease patients originated on the head and neck (n=3). Logistic regression showed 2.09 times higher odds of having a head/neck melanoma in our case group compared to the control group (odds ratio = 2.09, 95% confidence interval [1.13, 3.86]; p=0.020). Our study is limited by a small sample size, and our case cohort lacked diversity regarding race, ethnicity, sex, and geography. Validation of the reported trends could provide more robust guidance for melanoma surveillance in Parkinson's disease patients. 

We wish to acknowledge support from the Biostatistics, Epidemiology and Research Design (BERD) Methods Core. This content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH.
DOI: 10.7303/syn43685982
title: AKTIVES - A physiological signal database of children with neurodevelopmental disorders for stress recognition
DOI: 10.6084/m9.figshare.21493227
title: Mass spectrometry of EVs for lung cancer recognition

description: The proteins of extracellular vesicles (EVs) that originate from tumors reflect the producer cells’ proteomes and can be detected in biological fluids, e.g., blood plasma. Thus, EVs provide proteomic signatures that are of great interest for cancer diagnostics. By applying targeted mass spectrometry with stable isotope-labeled peptide standards, we assessed the levels of 28 EV-associated proteins, including the conventional exosome markers CD9, CD63, CD81, CD82, and HSPA8, in vesicles derived from the lung cancer cell lines NCI-H23 and A549. Furthermore, we measured their abundance in plasma samples from 34 lung cancer patients and 23 healthy volunteers. Overall, we detected and quantified the levels of seven proteins in undepleted blood plasma: TLN1, TUBA4A, HSPA8, ITGB3, TSG101, and PACSIN2. The most diagnostically potent markers were TLN1 (AUC, 0.95), TUBA4A (AUC, 0.91), and HSPA8 (AUC, 0.88). The obtained EV proteomic signature allowed us to distinguish between the lung adenocarcinoma and squamous cell carcinoma histological types. The proteomic cargo of the extracellular vesicles represents a valuable source of potential biomarkers. This research was funded by the Russian Science Foundation, grant number 21-74-20122. Mass spectrometry analysis and data storage were performed using the equipment of the “Human Proteome” Core Facility (Institute of Biomedical Chemistry).
DOI: 10.6084/m9.figshare.21493227.v1
title: Mass-spectrometry of cerebrospinal fluid (liquor) obtained from patients with hypoglossal schwannoma

description: Cerebrospinal fluid (liquor) samples (N = 44) have been derived from patients with rare tumor hypoglossal schwannoma that comprises about 5% of all non-vestibular schwannomas. Applying high resolution tandem mass-spectrometry 559 proteins were identified with high confidence (at least 2 peptides per protein, FDR &lt;1%) liquor samples. After tryptic digestion, liquor samples were spiked with 148 stable isotopically labelled peptide standards (SIS). Their natural counterparts were mapped onto 111 FDA-approved protein markers. The samples were subjected to alkaline fractionation followed by scheduled multiple reaction monitoring (MRM) of resulted five fractions. The MRM\SIS dataset provides unique quantitative information on proteomic composition of hypoglossal schwannoma liquor samples.
DOI: 10.6084/m9.figshare.21493227.v2
title: Mass spectrometry of EVs for lung cancer recognition

description: The proteins of extracellular vesicles (EVs) that originate from tumors reflect the producer cells’ proteomes and can be detected in biological fluids, e.g., blood plasma. Thus, EVs provide proteomic signatures that are of great interest for cancer diagnostics. By applying targeted mass spectrometry with stable isotope-labeled peptide standards, we assessed the levels of 28 EV-associated proteins, including the conventional exosome markers CD9, CD63, CD81, CD82, and HSPA8, in vesicles derived from the lung cancer cell lines NCI-H23 and A549. Furthermore, we measured their abundance in plasma samples from 34 lung cancer patients and 23 healthy volunteers. Overall, we detected and quantified the levels of seven proteins in undepleted blood plasma: TLN1, TUBA4A, HSPA8, ITGB3, TSG101, and PACSIN2. The most diagnostically potent markers were TLN1 (AUC, 0.95), TUBA4A (AUC, 0.91), and HSPA8 (AUC, 0.88). The obtained EV proteomic signature allowed us to distinguish between the lung adenocarcinoma and squamous cell carcinoma histological types. The proteomic cargo of the extracellular vesicles represents a valuable source of potential biomarkers. This research was funded by the Russian Science Foundation, grant number 21-74-20122. Mass spectrometry analysis and data storage were performed using the equipment of the “Human Proteome” Core Facility (Institute of Biomedical Chemistry).
DOI: 10.6084/m9.figshare.21502194.v1
title: Supplementary Material for: Rhabdomyolysis after COVID-19 Comirnaty Vaccination: A Case Report

description: Rhabdomyolysis is an acute disruption in skeletal muscle integrity, leading to the rapid release of 4 muscle contents into the bloodstream, such as creatine kinase (CK). It can have various causes, including infections. Throughout the pandemic, multiple cases of rhabdomyolysis following COVID-19 infections have been reported. However, rhabdomyolysis subsequent to COVID-19 vaccinations appears to be relatively rare. Here, we report such a case after a second COVID-19 Comirnaty (BioNTech/Pfizer) vaccination. Our patient developed rhabdomyolysis 1 day after the second Comirnaty vaccination with high creatine kinase (CK) levels, generalized weakness, and kidney failure. CK levels and muscle weakness resolved after treatment with intravenous fluids, but unfortunately, he remained hemodialysis dependent after discharge. To our knowledge, this is one of the first case reports describing a patient with rhabdomyolysis after a Comirnaty vaccination. However, as millions of people have received the Comirnaty vaccine, it is unclear whether the rhabdomyolysis in our patient is a rare side effect or an unrelated, coincidental event. Large observational studies are needed to elucidate the causality between the Comirnaty vaccination and rhabdomyolysis. Awareness is warranted in patients with myalgia and muscle weakness shortly after COVID-19 vaccination, in order to initiate treatment early and prevent life-threatening complications.
DOI: 10.6084/m9.figshare.21378780.v4
title: replication.zip

description: Replication package for the Intent Study.
DOI: 10.6084/m9.figshare.21502128.v1
title: replication.zip

description: Replication data for Intent Study.
DOI: 10.5517/ccdc.csd.cc29z0v5
title: CCDC 2144017: Experimental Crystal Structure Determination

description: Related Article: Linxi Yao, Alemayehu Gashaw Woldegiorgis, Xufeng Lin|2022|Tetrahedron Lett.|109|154157|doi:10.1016/j.tetlet.2022.154157
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.cc29z0w6
title: CCDC 2144018: Experimental Crystal Structure Determination

description: Related Article: Linxi Yao, Alemayehu Gashaw Woldegiorgis, Xufeng Lin|2022|Tetrahedron Lett.|109|154157|doi:10.1016/j.tetlet.2022.154157
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.cc2b4yyd
title: CCDC 2149724: Experimental Crystal Structure Determination

description: Related Article: Subham G. Patel, Aday González-Bakker, Ruturajsinh M. Vala, Paras J. Patel, Adrián Puerta, Apoorva Malik, Rakesh K. Sharma, José M. Padrón, Hitendra M. Patel|2022|RSC Advances|12|30404|doi:10.1039/D2RA04669E
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: 10.34740/kaggle/dsv/4448476
title: COVID Vaccination in World (updated daily)
DOI: 10.14272/sxpuvbfqxjhyns-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-bis(furan-2-yl)ethane-1,2-dione)
title: InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm) δ = 176.86 (s, 2 Cq), 149.46 (s, 2 Cq), 149.41(s, 2 CArH), 124.7 (s, 2 CArH), 113.10 (s, 2 CArH).
DOI: 10.14272/sxpuvbfqxjhyns-uhfffaoysa-n.1
title: 1,2-bis(2-furyl)ethane-1,2-dione
title: InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: This dataset contains experimental data from a sample (1,2-bis(furan-2-yl)ethane-1,2-dione, InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/sxpuvbfqxjhyns-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-bis(furan-2-yl)ethane-1,2-dione)
title: InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.81 (d, J = 1.7, 2H, CHAr), 7.68 (d, J = 3.7 Hz, 2H, CHAr), 6.67 (d, J = 3.7, Hz, 2H, CHAr). Impurity: there is one impurity at 1.59 ppm (water) in this spectra.
DOI: 10.14272/bbwhfklqxlxhni-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-dinaphthalen-1-ylethane-1,2-dione)
title: InChI=1S/C22H14O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 9.39 (d, J = 8.7 Hz, 2H, CHAr), 8.16 (d, J = 8.2 Hz, 2H, CHAr), 8.06 (d, J = 7.3 Hz, 2H, CHAr), 7.99 (d, J = 8.2 Hz, 2H, CHAr), 7.79 (t, J = 8.5 Hz, 2H, CHAr), 7.68 (t, J = 8.0 Hz, 2H, CHAr), 7.52 (t, J = 8.1 Hz, 2H, CHAr). Impurity: there is one impurity at 1.59 ppm (water) in this spectra.
DOI: 10.14272/bbwhfklqxlxhni-uhfffaoysa-n.1
title: 1,2-bis(1-naphthyl)ethane-1,2-dione
title: InChI=1S/C22H14O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

description: This dataset contains experimental data from a sample (1,2-dinaphthalen-1-ylethane-1,2-dione, InChI=1S/C22H14O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bbwhfklqxlxhni-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-dinaphthalen-1-ylethane-1,2-dione)
title: InChI=1S/C22H14O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm) δ = 197.1 (s, 2 Cq), 135.9 (s, 2 CArH), 135.2 (s, 2 CArH), 134.3 (s, 2 Cq), 131.3 (s, 2 Cq), 129.6 (s, 2 CArH), 129.1 (s, 2 Cq), 128.9 (s, 2 CArH), 127.2 (s, 2 CArH), 126.2 (s, 2 CArH), 124.6 (s, 2 CArH).
DOI: 10.14272/cuumqbijnwgqlu-uhfffaoysa-n.1
title: 1,2-bis(2-naphthyl)ethane-1,2-dione
title: InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

description: This dataset contains experimental data from a sample (1,2-dinaphthalen-2-ylethane-1,2-dione, InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/cuumqbijnwgqlu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-dinaphthalen-2-ylethane-1,2-dione)
title: InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.72 (s, 2H, CHAr), 8.13 (dd, J = 8.6, 1.7 Hz, 2H, CHAr), 8.02–7.97 (m, 2H, CHAr), 7.92 (t, J = 8.0 Hz, 4H, CHAr), 7.60 (m, 4H, CHAr). Impurities: 7.29 ppm (water), 8.05, 2.98 and 2.89 ppm (DMF) and 4.12, 2.05 and 1.26 ppm (ethyl acetate)
DOI: 10.14272/cuumqbijnwgqlu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-dinaphthalen-2-ylethane-1,2-dione)
title: InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm) δ = 171.2 (s, 2 Cq), 135.9 (s, 2 Cq), 132.5 (s, 2 Cq), 132.2 (s,2 CArH), 129.6 (s, 2 CArH), 128.7 (s, 2 CArH), 128.4 (s, 2 CArH), 127.9 (s, 2 CArH), 126.8 (s, 2 CArH), 126.4 (s, 2 Cq), 125.42 (s, 2 CArH).
DOI: 10.14272/piinxykjqgmioz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-dipyridin-2-ylethane-1,2-dione)
title: InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.62 (m, 2H, CHAr), 8.25 (d, J = 7.8 Hz, 2H, CHAr), 7.96 (t, J = 7.8 Hz, 2H, CHAr), 7.52 (m, 2H, CHAr). Impurity: there is one impurity at 1.59 ppm (water) in this spectra.
DOI: 10.14272/piinxykjqgmioz-uhfffaoysa-n.1
title: 1,2-bis(2-pyridyl)ethane-1,2-dione
title: InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H

description: This dataset contains experimental data from a sample (1,2-dipyridin-2-ylethane-1,2-dione, InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/piinxykjqgmioz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-dipyridin-2-ylethane-1,2-dione)
title: InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 197.1 (s, 2 x Cq), 151.9 (s, 2 x Cq), 149.7 (s, 2 x CArH), 137.3 (s, 2 x CArH), 128.0 (s, 2 x CArH), 122.6 (s, 2 x CArH).
DOI: 10.14272/zwdsnuzjjmntfc-uhfffaoysa-n.1
title: 1,2-bis(2,6-dimethylphenyl)ethane-1,2-dione
title: InChI=1S/C18H18O2/c1-11-7-5-8-12(2)15(11)17(19)18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3

description: This dataset contains experimental data from a sample (1,2-bis(2,6-dimethylphenyl)ethane-1,2-dione, InChI=1S/C18H18O2/c1-11-7-5-8-12(2)15(11)17(19)18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zwdsnuzjjmntfc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-bis(2,6-dimethylphenyl)ethane-1,2-dione)
title: InChI=1S/C18H18O2/c1-11-7-5-8-12(2)15(11)17(19)18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm): δ = 7.26 (m, 4H, CHar), 7.08 (m, 2H, CHar), 2.25 (s, 12H, CH3).Impurity: there is one impurity at 1.59 ppm (water) in this spectra.
DOI: 10.14272/zwdsnuzjjmntfc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-bis(2,6-dimethylphenyl)ethane-1,2-dione)
title: InChI=1S/C18H18O2/c1-11-7-5-8-12(2)15(11)17(19)18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm) δ = 197.53 (s, 2 Cq), 136.69 (s, 2 Cq), 135.21 (s, 2 CArH), 130.13 (s, 4 CArH), 128.08 (s, 4 Cq), 20.23 (s, 4 CH3).
DOI: 10.14272/pstfmalkvlskop-uhfffaoysa-n.1
title: 3,3,5,5-tetramethylcyclopentane-1,2-dione
title: InChI=1S/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3

description: This dataset contains experimental data from a sample (3,3,5,5-tetramethylcyclopentane-1,2-dione, InChI=1S/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pstfmalkvlskop-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3,3,5,5-tetramethylcyclopentane-1,2-dione)
title: InChI=1S/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 2.01 (s, 2H, CH), 1.26 (s, 12H, CH3).
DOI: 10.14272/pstfmalkvlskop-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3,3,5,5-tetramethylcyclopentane-1,2-dione)
title: InChI=1S/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm): δ = 210.00 (s, 2 Cq), 47.57 (s, CH2), 41.53 (s, 2 Cq), 26.47 (s, 4 CH3).
DOI: 10.5281/zenodo.7113761
title: MODIS Snow-Cover Frequency Maps

description: The 365 global snow cover frequency maps were derived from MODIS MOD10C1 data. There is one map for each day of the year (leap year days are excluded). Each map displays the frequency of snow cover for the 20-year time series, Hydrological Years 2000 - 2020, on a per-grid cell basis. Each grid cell is approximately 5 X 5 km. The dataset is described in detail in Riggs et al. (in press).
description: {"references": ["Riggs, G.A., D.K. Hall, C. Vuyovich and N.E. DiGirolamo, in press, 2022: Development of snow-cover frequency maps from MODIS snow-cover products, Remote Sensing."]}
DOI: 10.5281/zenodo.7113760
title: MODIS Snow-Cover Frequency Maps

description: The 365 global snow cover frequency maps were derived from MODIS MOD10C1 data. There is one map for each day of the year (leap year days are excluded). Each map displays the frequency of snow cover for the 20-year time series, Hydrological Years 2000 - 2020, on a per-grid cell basis. Each grid cell is approximately 5 X 5 km. The dataset is described in detail in Riggs et al. (in press).
description: {"references": ["Riggs, G.A., D.K. Hall, C. Vuyovich and N.E. DiGirolamo, in press, 2022: Development of snow-cover frequency maps from MODIS snow-cover products, Remote Sensing."]}
DOI: 10.14272/unwkvsdabpczmk-uhfffaoysa-n.1
title: 1,2-dithiophen-2-ylethane-1,2-dione
title: InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: This dataset contains experimental data from a sample (1,2-dithiophen-2-ylethane-1,2-dione, InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/unwkvsdabpczmk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-dithiophen-2-ylethane-1,2-dione)
title: InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (500 MHz, CDCl3, ppm) δ = 182.56 (s, 2 Cq), 138.75 (s, 2 Cq), 137.64 (s, 2 CArH), 137.42 (s, 2 CArH), 128.82 (s, 2 CArH).
DOI: 10.14272/unwkvsdabpczmk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-dithiophen-2-ylethane-1,2-dione)
title: InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.10 (dd, J = 3.9, 1.2 Hz, 2H, CHAr), 7.88 (dd, J = 4.9, 1.2 Hz, 2H, CHAr), 7.24 (m, 2H, CHAr). Impurity: there is one impurity at 1.59 ppm (water) in this spectra.
DOI: 10.14272/bqdsqocmnsrcgt-uhfffaoysa-n.1
title: 4-[2-(4-carboxyphenyl)-2-oxo-acetyl]benzoic acid
title: InChI=1S/C16H10O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)

description: This dataset contains experimental data from a sample (4-[2-(4-carboxyphenyl)-2-oxoacetyl]benzoic acid, InChI=1S/C16H10O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bqdsqocmnsrcgt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[2-(4-carboxyphenyl)-2-oxoacetyl]benzoic acid)
title: InChI=1S/C16H10O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 193.4 (s, 2 x Cq), 166.3 (s, 2 x Cq), 136.4 (s, 2 x Cq), 135.0 (s, 2 x Cq), 130.1 (s, 4 x CarH), 130.1 (s, 4 x CarH).
DOI: 10.14272/bqdsqocmnsrcgt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[2-(4-carboxyphenyl)-2-oxoacetyl]benzoic acid)
title: InChI=1S/C16H10O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.49 (s, 2H, COOH), 8.16–8.14 (m, 4H, CHar), 8.09–8.07 (m, 4H, CHar). Impurities: unkown impurity at 8.04 ppm
DOI: 10.14272/yrknwvlblgrgrk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-bis(4-nitrophenyl)ethane-1,2-dione)
title: InChI=1S/C14H8N2O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.33 (m, 4H, 4CHAr), 8.14 (m, 4H, 4CHAr). Impurities: this spectrum contains around 10 % impurities at 1.46 ppm (cyclohexane), 1.36 ppm (ethyl acetate), 1.18 ppm (unknown impurity) and 0.81 ppm (grease).
DOI: 10.14272/yrknwvlblgrgrk-uhfffaoysa-n.1
title: 1,2-bis(4-nitrophenyl)ethane-1,2-dione
title: InChI=1S/C14H8N2O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H

description: This dataset contains experimental data from a sample (1,2-bis(4-nitrophenyl)ethane-1,2-dione, InChI=1S/C14H8N2O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)