@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@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 xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p56.s302.d1759> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -VS-20220502-Diterpen 7 date: 2022-05-05T13:12:40.000Z isFt: false name: VS-20220502-Diterpen 7/10 phc0: -77.99673 phc1: -0.4441228 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00006999999999999982 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1509 spectrumSize: 65536 baseFrequency: 600.36 digitalFilter: 76 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975459967145 numberOfPoints: 82 relaxationTime: 2 acquisitionTime: 0.005669999999999985 frequencyOffset: 3902.3399999678077 originFrequency: 600.36390234 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-05-05T13:12:40.000Z isFt: true name: VS-20220502-Diterpen 7/10 phc0: -77.99673 phc1: -0.4441228 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.14688328391005556 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1509 spectrumSize: 65536 baseFrequency: 600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975459967145 numberOfPoints: 82 relaxationTime: 2 acquisitionTime: 0.005669999999999985 frequencyOffset: 3902.3399999678077 originFrequency: 600.36390234 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-05-05T15:19:18.000Z isFt: false name: VS-20220502-Diterpen 7/11 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006999999999999982 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.152 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975459967145,12.0004066249281 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999987 frequencyOffset: 3902.3399999678077,3902.3399999678077 originFrequency: 600.36390234,600.36390234 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-05-05T15:19:18.000Z isFt: true name: VS-20220502-Diterpen 7/11 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.6996494281020715 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.152 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975459967145,12.0004066249281 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999987 frequencyOffset: 3902.3399999678077,3902.3399999678077 originFrequency: 600.36390234,600.36390234 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-05-05T21:06:57.000Z isFt: false name: VS-20220502-Diterpen 7/12 phc0: -79.7808,185.0539 phc1: -2.23597,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006999999999999982 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1529 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 11.8975459967145,210.020279633083 numberOfPoints: 18 relaxationTime: 2 acquisitionTime: 0.0011899999999999968 frequencyOffset: 3902.3399999678077,16605.670627996005 originFrequency: 600.36390234,150.977247742628 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-05-05T21:06:57.000Z isFt: true name: VS-20220502-Diterpen 7/12 phc0: -79.7808,185.0539 phc1: -2.23597,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.6998556468655588 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1529 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 11.8975459967145,210.020279633083 numberOfPoints: 18 relaxationTime: 2 acquisitionTime: 0.0011899999999999968 frequencyOffset: 3902.3399999678077,16605.670627996005 originFrequency: 600.36390234,150.977247742628 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-05-06T03:30:15.000Z isFt: false name: VS-20220502-Diterpen 7/13 phc0: 101.269 phc1: -169.4711 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00006999999999999982 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1491 spectrumSize: 2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hmbcetgpl3nd spectralWidth: 11.8975459967145,219.958972815675 numberOfPoints: 11 relaxationTime: 1.5 acquisitionTime: 0.0006999999999999981 frequencyOffset: 3902.3399999678077,16605.67099997934 originFrequency: 600.36390234,150.977247743 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 3 date: 2022-05-06T09:36:58.000Z isFt: false name: VS-20220502-Diterpen 7/14 phc0: -68.20078 phc1: 21.29477 type: NMR FID DECIM: 612 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.000015300000000000023 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1481 spectrumSize: 65536 baseFrequency: 150.960642072 digitalFilter: 76 fieldStrength: 14.097408614576718 numberOfScans: 7168 pulseSequence: zgpg30 spectralWidth: 216.454724474782 numberOfPoints: 23 relaxationTime: 2 acquisitionTime: 0.00033660000000000054 frequencyOffset: 16605.670627996005 originFrequency: 150.977247742628 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-05-06T09:36:58.000Z isFt: true name: VS-20220502-Diterpen 7/14 phc0: -68.20078 phc1: 21.29477 type: NMR Spectrum DECIM: 612 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 9.838851112490092 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1481 spectrumSize: 65536 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 7168 pulseSequence: zgpg30 spectralWidth: 216.454724474782 numberOfPoints: 23 relaxationTime: 2 acquisitionTime: 0.00033660000000000054 frequencyOffset: 16605.670627996005 originFrequency: 150.977247742628 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s302.d1759" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p56.s302.d1759#sample> ;
    dct:title "VS-20220502-Diterpen 7[13]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p56.s302.d1759#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000601 a schema1:DefinedTerm ;
    schema1:name "heteronuclear multiple bond coherence" .

<https://doi.org/10.57992/nmrxiv.p56.s302.d1759#measurement> a chmo:0000601,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p56.s302.d1759#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/162918440> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H32O/c1-7-14(2)8-10-16-15(3)9-11-17-19(4,5)18(21)12-13-20(16,17)6/h7-8,16-18,21H,1,3,9-13H2,2,4-6H3" ],
        [ 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 "288.5"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=CC(C)=CCC1C(=C)CCC2C(C)(C)C(O)CCC12C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QSFSRHYSSAIFJK-UHFFFAOYSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C20H32O" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p56.s302.d1759#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/162918440> ;
    dct:title "evaluated sample" .