@prefix adms: . @prefix bfo: . @prefix chebi: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dct: . @prefix foaf: . @prefix ns1: . @prefix prov: . @prefix schema1: . @prefix sio: . @prefix skos: . @prefix xsd: . a dcat:Dataset ; dct:conformsTo [ a dct:Standard ; dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ; dct:title "ChemDCAT-AP" ] ; dct:creator [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Jean-Michel Bellanger" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Franck Cantet" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Théo Ozga" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Matteo Bonazzi" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Aurélie Urbain" ] ; dct:description "This dataset contains NMR spectra obtained for the sample -Lacrymaric acid Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z114229_0001 (PA BBO 500S2 BBF-H-D-05 Z BTO PLUS) NMR Pulse Sequence: 1d Temperature: 298.1342 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 19.9946778845251 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 500.133088302 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z114229_0001 (PA BBO 500S2 BBF-H-D-05 Z BTO PLUS) NMR Pulse Sequence: cosy Temperature: 297.8111 Observed Frequency: 500.13,500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 4 NMR Pulse Sequence: cosygpppqf Spectral Width: 6.44991616913688,6.44991616913687 Number of Data Points: 3072,512 Relaxation Delay: 1.760384 Observed Frequency: 500.131531483855,500.131531483855 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z114229_0001 (PA BBO 500S2 BBF-H-D-05 Z BTO PLUS) NMR Pulse Sequence: hsqc Temperature: 298.0265 Observed Frequency: 500.13,125.757789 Magnetic Field Strength: 11.746350800110099 Number of Scans: 8 NMR Pulse Sequence: hsqcedetgp Spectral Width: 6.44991616913688,210.343879508516 Number of Data Points: 768,512 Relaxation Delay: 2 Observed Frequency: 500.131531483855,125.77036478 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z114229_0001 (PA BBO 500S2 BBF-H-D-05 Z BTO PLUS) NMR Pulse Sequence: hmbc Temperature: 297.9188 Observed Frequency: 500.13,125.757789 Magnetic Field Strength: 11.746350800110099 Number of Scans: 16 NMR Pulse Sequence: hmbcetgpl3nd Spectral Width: 6.44991616913688,219.640847379408 Number of Data Points: 1024,384 Relaxation Delay: 2 Observed Frequency: 500.131531483855,125.77036431 Nucleus: 13C NMR Solvent: MeOD NMR Probe: Z114229_0001 (PA BBO 500S2 BBF-H-D-05 Z BTO PLUS) NMR Pulse Sequence: 1d Temperature: 297.9188 Observed Frequency: 125.757789 Magnetic Field Strength: 11.74456180452723 Number of Scans: 256 NMR Pulse Sequence: zgpg30 Spectral Width: 236.636865340725 Number of Data Points: 65536 Relaxation Delay: 2.5 Observed Frequency: 125.770364305 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z129773_0037 NMR Pulse Sequence: noesy Temperature: 298.000289638494 Observed Frequency: 600.27,600.27 Magnetic Field Strength: 14.098298431971864 Number of Scans: 8 NMR Pulse Sequence: noesygpphzs Spectral Width: 9.79946279100875,9.79946288900338 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 600.27300135,600.27300135" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p203.s2331.d9151" ; dct:issued "2026-09-12"^^xsd:date ; dct:language [ a dct:LinguisticSystem ; dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ; dct:title "en" ] ; dct:modified "2026-09-12"^^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 "Lacrymaric acid[11]" ; adms:identifier [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p203.s2331.d9151" ], [ 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-d9151" ] ; 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:0000599 a schema1:DefinedTerm ; schema1:name "correlation spectroscopy" . a chmo:0000599, prov:Activity ; dct:description "The kind of activity/process used to generate the dataset" ; prov:used . a foaf:Document . a chebi:23367 ; sio:000008 [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "C/C(=C\\CC/C=C(\\C)CC/C=C(\\C)CCC(=O)O)CC/C=C(\\C)CCC(=O)O" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "GYCMIMWTHLQJFK-HYVFKDFLSA-N" ], [ a cheminf:000042 ; dct:title "assigned molecular formula" ; prov:value "C24H38O4" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C24H38O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h9-10,13-14H,5-8,11-12,15-18H2,1-4H3,(H,25,26)(H,27,28)/b19-9+,20-10+,21-13+,22-14+" ], [ a ; dct:title "assigned exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "390.6"^^xsd:float ] . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .