cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/capwwsfatxlfot-cmdggobgsa-n.1
title: neopentyl (E)-2-(2-bromophenyl)ethene-1-sulfonate
title: InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-6-4-5-7-12(11)14/h4-9H,10H2,1-3H3/b9-8+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-6-4-5-7-12(11)14/h4-9H,10H2,1-3H3/b9-8+, and canonical SMILES descriptor[cheminf_000007]: Brc1ccccc1/C=C/S(=O)(=O)OCC(C)(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-44952

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 74.6 - 75.4 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/capwwsfatxlfot-cmdggobgsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-6-4-5-7-12(11)14/h4-9H,10H2,1-3H3/b9-8+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ledcjbcteylbjo-cmdggobgsa-n.1
title: ethyl (E)-2-phenylethenesulfonate
title: InChI=1S/C10H12O3S/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C10H12O3S/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+, and canonical SMILES descriptor[cheminf_000007]: CCOS(=O)(=O)/C=C/c1ccccc1, and by the IUPAC name[cheminf_000107]: ethyl (E)-2-phenylethenesulfonate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-45162

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/ledcjbcteylbjo-cmdggobgsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl (E)-2-phenylethenesulfonate)
title: InChI=1S/C10H12O3S/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yqrzvsxqcqzrbp-bqyqjahwsa-n.1
title: neopentyl (E)-2-(3,4,5-trimethoxyphenyl)ethene-1-sulfonate
title: InChI=1S/C16H24O6S/c1-16(2,3)11-22-23(17,18)8-7-12-9-13(19-4)15(21-6)14(10-12)20-5/h7-10H,11H2,1-6H3/b8-7+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C16H24O6S/c1-16(2,3)11-22-23(17,18)8-7-12-9-13(19-4)15(21-6)14(10-12)20-5/h7-10H,11H2,1-6H3/b8-7+, and canonical SMILES descriptor[cheminf_000007]: COc1cc(/C=C/S(=O)(=O)OCC(C)(C)C)cc(c1OC)OC, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-45144

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 110.9 - 111.2 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/yqrzvsxqcqzrbp-bqyqjahwsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H24O6S/c1-16(2,3)11-22-23(17,18)8-7-12-9-13(19-4)15(21-6)14(10-12)20-5/h7-10H,11H2,1-6H3/b8-7+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.15468/dl.ugn2zx
title: Occurrence Download

description: A dataset containing 475 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Platea Blume"
 ]
}

 The dataset includes 475 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014948-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/xmtqmzhhylurmf-dhzhzojosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H16O4S/c14-18(15,17-13-6-9-16-10-7-13)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2/b11-8+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.6084/m9.figshare.27231864
title: User requirements mining methods for scenario design using Quantitative Ethnography——data disclosure

description: The study commenced with a questionnaire survey, which yielded a total of 1,742 initial demands from the user group. Subsequently, 231 invalid sample data were eliminated, and 1,511 valid data were obtained. To further enhance the quality of the sample, 120 users were selected for field household research and in-depth interviews using a random sampling method. One-on-one structured interviews were conducted between 10 May 2022 and 25 June 2024 with 120 participants. Additionally, the content of the interviews was adapted to align with the participants' preferences. The duration of each interview was approximately 180 minutes, with the interviews themselves taking place approximately two weeks after the field study. The study yielded a final sample of 120 kitchen space needs explorations, with each participant's statements being coded. In order to safeguard the anonymity of the interviewees and to adhere to data protection regulations, only the 1,000 coded data points, excluding the interviews, are presented in this report. These data are displayed in the form of a statistical table, entitled 'Coded Data from the Research Sample'.In the data processing and analysis stages, an epistemic network analysis Web Tool (version 1.7.0) is employed for the processing and analysis of the coded data. The length of the sliding window is set to six lines, comprising the current line and the preceding five lines. This signifies that the co-occurrence of requisite elements is calculated for each six adjacent interview data lines. An adjacency matrix is constructed, and the resulting adjacency vectors are subsequently accumulated. In order to accommodate the potential discrepancy in the number of data coding rows across different analysis units, a process of normalization is applied to all network data prior to dimension reduction. The singular value decomposition (SVD) method is employed to generate orthogonal dimensions, thereby maximising the variance explained by each dimension. The final map of the kitchen space demand network model has been produced and can be seen in Figures 3 to 6 of the paper.
DOI: 10.6084/m9.figshare.27231864.v1
title: User requirements mining methods for scenario design using Quantitative Ethnography——data disclosure

description: The study commenced with a questionnaire survey, which yielded a total of 1,742 initial demands from the user group. Subsequently, 231 invalid sample data were eliminated, and 1,511 valid data were obtained. To further enhance the quality of the sample, 120 users were selected for field household research and in-depth interviews using a random sampling method. One-on-one structured interviews were conducted between 10 May 2022 and 25 June 2024 with 120 participants. Additionally, the content of the interviews was adapted to align with the participants' preferences. The duration of each interview was approximately 180 minutes, with the interviews themselves taking place approximately two weeks after the field study. The study yielded a final sample of 120 kitchen space needs explorations, with each participant's statements being coded. In order to safeguard the anonymity of the interviewees and to adhere to data protection regulations, only the 1,000 coded data points, excluding the interviews, are presented in this report. These data are displayed in the form of a statistical table, entitled 'Coded Data from the Research Sample'.In the data processing and analysis stages, an epistemic network analysis Web Tool (version 1.7.0) is employed for the processing and analysis of the coded data. The length of the sliding window is set to six lines, comprising the current line and the preceding five lines. This signifies that the co-occurrence of requisite elements is calculated for each six adjacent interview data lines. An adjacency matrix is constructed, and the resulting adjacency vectors are subsequently accumulated. In order to accommodate the potential discrepancy in the number of data coding rows across different analysis units, a process of normalization is applied to all network data prior to dimension reduction. The singular value decomposition (SVD) method is employed to generate orthogonal dimensions, thereby maximising the variance explained by each dimension. The final map of the kitchen space demand network model has been produced and can be seen in Figures 3 to 6 of the paper.
DOI: 10.14272/kikxbeofokxqca-cmdggobgsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kikxbeofokxqca-cmdggobgsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/kikxbeofokxqca-cmdggobgsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/jhkixxqidlwuan-sofgywhqsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C11H16O3S2/c1-11(2,3)9-14-16(12,13)8-6-10-5-4-7-15-10/h4-8H,9H2,1-3H3/b8-6+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jxpgrurembxege-mdzdmxlpsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C16H26O7S2/c1-15(2,3)11-21-24(17,18)10-9-13-7-8-14(23-13)25(19,20)22-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b10-9+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/rbmwjobeyrkeou-zhacjkmwsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/rbmwjobeyrkeou-zhacjkmwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kwgpbdbaaxywoj-sofgywhqsa-n.1
title: (E)-3-naphthalen-2-ylprop-2-enoic acid
title: InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+, and canonical SMILES descriptor[cheminf_000007]: OC(=O)/C=C/c1ccc2c(c1)cccc2, and by the IUPAC name[cheminf_000107]: (E)-3-naphthalen-2-ylprop-2-enoic acid.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-45241

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 176.7 - 177.3 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/kwgpbdbaaxywoj-sofgywhqsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ((E)-3-naphthalen-2-ylprop-2-enoic acid)
title: InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.15468/dl.j5gprg
title: Occurrence Download

description: A dataset containing 311 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Parasyrphus macularis (Zetterstedt, 1843)",
 "PhylumKey is Arthropoda",
 "Year is greater than or equal to 1992",
 "Year is less than or equal to 2012",
 "Geometry POLYGON((-26 34, 42 34, 42 70, -26 70, -26 34))"
 ]
}

 The dataset includes 311 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014949-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/rbmwjobeyrkeou-zhacjkmwsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/jxpgrurembxege-mdzdmxlpsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H26O7S2/c1-15(2,3)11-21-24(17,18)10-9-13-7-8-14(23-13)25(19,20)22-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b10-9+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/xsfawqkhxvrjfw-mdzdmxlpsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/rbmwjobeyrkeou-zhacjkmwsa-n.1
title: neopentyl (E)-2-(naphthalen-2-yl)ethene-1-sulfonate
title: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+, and canonical SMILES descriptor[cheminf_000007]: CC(COS(=O)(=O)/C=C/c1ccc2c(c1)cccc2)(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-45116

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 117.1 - 117.8 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/rbmwjobeyrkeou-zhacjkmwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xsfawqkhxvrjfw-mdzdmxlpsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/xsfawqkhxvrjfw-mdzdmxlpsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/fozzoclqrrjrqc-pprzojqrsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H26O8S/c1-19(2)23-12-14(25-19)15-16(17-18(24-15)27-20(3,4)26-17)28-29(21,22)11-10-13-8-6-5-7-9-13/h5-11,14-18H,12H2,1-4H3/b11-10+/t14-,15-,16+,17-,18-/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xsfawqkhxvrjfw-mdzdmxlpsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)