@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix ns1: <http://qudt.org/schema/qudt/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p56.s295.d1711> a dcat:Dataset ;
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    dct:conformsTo [ a dct:Standard ;
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            dct:title "ChemDCAT-AP" ] ;
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                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Bathe U" ],
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            dct:type [ a skos:Concept ;
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                    skos:prefLabel "person" ] ;
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                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Tissier A." ],
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                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Frank O" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
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                    dct:description "A human being." ;
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            foaf:name "Soboleva A" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -20221118-VS-Diterpen 14</br>date: 2022-11-18T11:24:06.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/10</br>phc0: -78.80284</br>phc1: -8.602577</br>type: NMR FID</br>DECIM: 2800</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.0000699999999999998</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: proton</br>groupDelay: 76</br>temperature: 300.1508</br>spectrumSize: 65536</br>baseFrequency: 600.36</br>digitalFilter: 76</br>fieldStrength: 14.100412257822022</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 11.8975459967145</br>numberOfPoints: 30</br>relaxationTime: 2</br>acquisitionTime: 0.0020299999999999945</br>frequencyOffset: 3902.3399999678077</br>originFrequency: 600.36390234</br>pulseStrength90: 31250</br>experimentNumber: 10</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2022-11-18T11:24:06.000Z</br>isFt: true</br>name: 20221118-VS-Diterpen 14/10</br>phc0: -78.80284</br>phc1: -8.602577</br>type: NMR Spectrum</br>DECIM: 2800</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.41026020678325864</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: proton</br>groupDelay: 76</br>temperature: 300.1508</br>spectrumSize: 65536</br>baseFrequency: 600.36</br>fieldStrength: 14.100412257822022</br>numberOfScans: 8</br>pulseSequence: zg30</br>spectralWidth: 11.8975459967145</br>numberOfPoints: 30</br>relaxationTime: 2</br>acquisitionTime: 0.0020299999999999945</br>frequencyOffset: 3902.3399999678077</br>originFrequency: 600.36390234</br>pulseStrength90: 31250</br>experimentNumber: 10</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2022-11-18T13:30:45.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/11</br>phc0: 0,0</br>phc1: 0,0</br>type: NMR FID</br>DECIM: 2800</br>aqMod: 3</br>isFid: true</br>tdOff: 0,0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 20</br>nucleus: 1H,1H</br>reverse: false,false</br>solvent: CDCl3</br>dimension: 2</br>increment: 0.00006999999999999982</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: cosy</br>groupDelay: 68</br>temperature: 300.1509</br>spectrumSize: 2048,2048</br>baseFrequency: 600.36,600.36</br>digitalFilter: 68</br>fieldStrength: 14.100412257822022</br>numberOfScans: 16</br>pulseSequence: cosygpmfppqf</br>spectralWidth: 11.8975459967145,12.0004066249281</br>numberOfPoints: 8</br>relaxationTime: 1.5</br>acquisitionTime: 0.0004899999999999987</br>frequencyOffset: 3902.3399999678077,3902.3399999678077</br>originFrequency: 600.36390234,600.36390234</br>pulseStrength90: 31250</br>experimentNumber: 11</br>acquisitionScheme: notPhaseSensitive</br>linearPredictionBin: 0,512</br>lpNumberOfCoefficients: 0,100</br>windowMultiplicationMode: 4,4</br>date: 2022-11-18T19:18:27.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/12</br>phc0: 103.6381,5.721686</br>phc1: -1.94433,0</br>type: NMR FID</br>DECIM: 2800</br>aqMod: 3</br>isFid: true</br>tdOff: 0,0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 20</br>nucleus: 1H,13C</br>reverse: false,false</br>solvent: CDCl3</br>dimension: 2</br>increment: 0.0000699999999999998</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: hsqc</br>groupDelay: 68</br>temperature: 300.1512</br>spectrumSize: 2048,2048</br>baseFrequency: 600.36,150.960642072</br>digitalFilter: 68</br>fieldStrength: 14.100412257822022</br>numberOfScans: 24</br>pulseSequence: hsqcedetgpsp.3</br>spectralWidth: 11.8975459967145,200.034640311014</br>numberOfPoints: 10</br>relaxationTime: 2</br>acquisitionTime: 0.0006299999999999983</br>frequencyOffset: 3902.3399999678077,13586.457786999517</br>originFrequency: 600.36390234,150.974228529787</br>pulseStrength90: 31250</br>experimentNumber: 12</br>acquisitionScheme: Echo-antiecho</br>linearPredictionBin: 0,800</br>lpNumberOfCoefficients: 0,32</br>windowMultiplicationMode: 4,4</br>date: 2022-11-19T08:04:31.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/13</br>phc0: 223.915,192.479</br>phc1: 40.1229,0</br>type: NMR FID</br>DECIM: 2800</br>aqMod: 3</br>isFid: true</br>tdOff: 0,0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 20</br>nucleus: 1H,13C</br>reverse: false,false</br>solvent: CDCl3</br>dimension: 2</br>increment: 0.00006999999999999982</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: hmbc</br>groupDelay: 68</br>temperature: 300.1479</br>spectrumSize: 2048,2048</br>baseFrequency: 600.36,150.960642072</br>digitalFilter: 68</br>fieldStrength: 14.100412257822022</br>numberOfScans: 48</br>pulseSequence: hmbcetgpl3nd</br>spectralWidth: 11.8975459967145,200.034640311014</br>numberOfPoints: 13</br>relaxationTime: 1.5</br>acquisitionTime: 0.0008399999999999978</br>frequencyOffset: 3902.3399999678077,13586.457786999517</br>originFrequency: 600.36390234,150.974228529787</br>pulseStrength90: 31250</br>experimentNumber: 13</br>acquisitionScheme: Echo-antiecho</br>linearPredictionBin: 0,1024</br>lpNumberOfCoefficients: 0,32</br>windowMultiplicationMode: 3,4</br>date: 2022-11-19T20:37:30.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/14</br>phc0: -48.25781</br>phc1: -9.578789</br>type: NMR FID</br>DECIM: 664</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 21</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001660000000000004</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: c13</br>groupDelay: 76</br>temperature: 300.1507</br>spectrumSize: 65536</br>baseFrequency: 150.960642072</br>digitalFilter: 76</br>fieldStrength: 14.097408614576718</br>numberOfScans: 14336</br>pulseSequence: zgpg30</br>spectralWidth: 199.507440581278</br>numberOfPoints: 15</br>relaxationTime: 2</br>acquisitionTime: 0.00023240000000000058</br>frequencyOffset: 13586.457786999517</br>originFrequency: 150.974228529787</br>pulseStrength90: 20833.333333333332</br>experimentNumber: 14</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2022-11-19T22:22:27.000Z</br>isFt: false</br>name: 20221118-VS-Diterpen 14/15</br>phc0: 61.13795</br>phc1: -247.1142</br>type: NMR FID</br>DECIM: 664</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 20</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00001660000000000004</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: dept</br>groupDelay: 68</br>temperature: 300.1513</br>spectrumSize: 32768</br>baseFrequency: 150.960642072</br>digitalFilter: 68</br>fieldStrength: 14.097408614576718</br>numberOfScans: 2000</br>pulseSequence: deptsp135</br>spectralWidth: 199.507440581278</br>numberOfPoints: 12</br>relaxationTime: 2</br>acquisitionTime: 0.00018260000000000045</br>frequencyOffset: 13586.457786999517</br>originFrequency: 150.974228529787</br>pulseStrength90: 20833.333333333332</br>experimentNumber: 15</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2022-11-19T22:22:27.000Z</br>isFt: true</br>name: 20221118-VS-Diterpen 14/15</br>phc0: 61.13795</br>phc1: -247.1142</br>type: NMR Spectrum</br>DECIM: 664</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 4.0.9</br>DSPFVS: 20</br>nucleus: 13C</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 18.137040052843453</br>isComplex: true</br>probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)</br>experiment: dept</br>groupDelay: 68</br>temperature: 300.1513</br>spectrumSize: 32768</br>baseFrequency: 150.960642072</br>fieldStrength: 14.097408614576718</br>numberOfScans: 2000</br>pulseSequence: deptsp135</br>spectralWidth: 199.507440581278</br>numberOfPoints: 12</br>relaxationTime: 2</br>acquisitionTime: 0.00018260000000000045</br>frequencyOffset: 13586.457786999517</br>originFrequency: 150.974228529787</br>pulseStrength90: 20833.333333333332</br>experimentNumber: 15</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s295.d1711" ;
    dct:issued "2024-04-22"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2026-01-03"^^xsd:date ;
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            foaf:name "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p56.s295.d1711#sample> ;
    dct:title "20221118-VS-Diterpen 14[12]" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p56.s295.d1711" ],
        [ 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-d1711" ] ;
    dcat:landingPage <https://nmrxiv.org/D1711> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p56.s295.d1711#measurement> .

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://creativecommons.org/licenses/by/4.0/legalcode> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution 4.0 International" .

<https://doi.org/10.57992/nmrxiv.p56.s295.d1711#measurement> a chmo:0000604,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p56.s295.d1711#sample> .

<https://nmrxiv.org/D1711> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/10448477> a chebi:23367 ;
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            prov:value "GPFVBJYXFRIOFB-UHFFFAOYSA-N" ],
        [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "316.4"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C20H28O3" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)C1=CC=C2C(=C1)C(O)CC1C(C)(C(=O)O)CCCC21C" ] .

<https://doi.org/10.57992/nmrxiv.p56.s295.d1711#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/10448477> ;
    dct:title "evaluated sample" .