@prefix adms: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dct: . @prefix foaf: . @prefix ns1: . @prefix prov: . @prefix schema1: . @prefix skos: . @prefix xsd: . a dcat:Dataset ; dct:conformsTo [ a dct:Standard ; dct:description "https://w3id.org/nfdi-de/dcat-ap-plus" ; dct:title "DCAT-AP-PLUS" ] ; dct:creator [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Butterer A." ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Steiner VJN" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Kulić Ž" ] ; dct:description "This dataset contains NMR spectra obtained for the sample -epigallocatechin_sy20033a_dmso Nucleus: 1H NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.1521 Observed Frequency: 600.17 Magnetic Field Strength: 14.095949772463316 Number of Scans: 32 NMR Pulse Sequence: zg30 Spectral Width: 18.0322645968923 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.17480136 Nucleus: 13C NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.1501 Observed Frequency: 150.912867 Magnetic Field Strength: 14.09380291808325 Number of Scans: 5120 NMR Pulse Sequence: zgpg30 Spectral Width: 240.060784419765 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.92795829 Nucleus: 13C NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: dept Temperature: 298.1443 Observed Frequency: 150.912867 Magnetic Field Strength: 14.09380291808325 Number of Scans: 640 NMR Pulse Sequence: deptsp135 Spectral Width: 180.048288777455 Number of Data Points: 131072 Relaxation Delay: 2 Observed Frequency: 150.92569459 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: noesy Temperature: 298.1495 Observed Frequency: 600.17,600.17 Magnetic Field Strength: 14.095949772463316 Number of Scans: 16 NMR Pulse Sequence: noesygpph Spectral Width: 12.0157601985357,12.0042176815342 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.17330093,600.17330093 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: hsqc Temperature: 298.2162 Observed Frequency: 600.17,150.912867 Magnetic Field Strength: 14.095949772463316 Number of Scans: 8 NMR Pulse Sequence: hsqcedetgpsisp2.2 Spectral Width: 12.0157601985357,161.605772054076 Number of Data Points: 1730,256 Relaxation Delay: 1.5 Observed Frequency: 600.17330093,150.92433638 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: hmbc Temperature: 298.0693 Observed Frequency: 600.17,150.912867 Magnetic Field Strength: 14.095949772463316 Number of Scans: 16 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 14.0251157238603,240.057183926836 Number of Data Points: 4096,256 Relaxation Delay: 1.5 Observed Frequency: 600.17390111,150.93022198 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z814601_0138 (PA BBI 600S3 H-BB-D-05 Z) NMR Pulse Sequence: cosy Temperature: 298.149 Observed Frequency: 600.17,600.17 Magnetic Field Strength: 14.095949772463316 Number of Scans: 8 NMR Pulse Sequence: cosygpmfqf Spectral Width: 12.0157601985357,12.0042176815342 Number of Data Points: 4096,256 Relaxation Delay: 2 Observed Frequency: 600.17330093,600.17330093" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p171.s1883.d8070" ; dct:issued "2026-07-25"^^xsd:date ; dct:language [ a dct:LinguisticSystem ; dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ; dct:title "en" ] ; dct:modified "2026-08-01"^^xsd:date ; dct:publisher [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ; skos:prefLabel "Academia/Scientific organisation" ] ; foaf:name "nmrXiv" ] ; dct:subject ; dct:title "epigallocatechin_sy20033a_dmso[1]" ; adms:identifier [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p171.s1883.d8070" ], [ a adms:Identifier ; dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ; dct:title "Search Service ID" ; skos:notation "https://search.nfdi4chem.de/dataset/nmrxiv-d8070" ] ; dcat:landingPage ; dcat:theme [ a skos:Concept ; dct:title "http://publications.europa.eu/resource/authority/data-theme/TECH" ; skos:prefLabel "Science and technology" ] ; prov:wasGeneratedBy . chmo:0000593 a schema1:DefinedTerm ; schema1:name "1H nuclear magnetic resonance spectroscopy" . cheminf:000018 a schema1:DefinedTerm ; schema1:name "SMILES" . cheminf:000042 a schema1:DefinedTerm ; schema1:name "molecular formula" . cheminf:000059 a schema1:DefinedTerm ; schema1:name "InChiKey" . cheminf:000113 a schema1:DefinedTerm ; schema1:name "InChi" . cheminf:000217 a schema1:DefinedTerm ; schema1:name "exact mass descriptor" . a chmo:0000593, prov:Activity ; prov:used . a foaf:Document . a prov:Entity ; dct:relation [ a cheminf:000042, prov:Entity ; dct:title "assigned molecular formula" ; prov:value "C15H14O7" ], [ a ns1:Quantity, cheminf:000217 ; dct:title "exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "306.27"^^xsd:float ], [ a cheminf:000113, prov:Entity ; dct:title "assigned InChI" ; prov:value "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1" ], [ a cheminf:000059, prov:Entity ; dct:title "assigned InChIKey" ; prov:value "XMOCLSLCDHWDHP-WFASDCNBSA-N" ], [ a cheminf:000018, prov:Entity ; dct:title "assigned SMILES" ; prov:value "OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1" ] . a prov:Entity ; dct:hasPart ; dct:title "evaluated sample" .