@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.s300.d1747> 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-20220531-Diterpen3 date: 2022-05-31T14:38:51.000Z isFt: false name: VS-20220531-Diterpen3/10 phc0: -77.10563 phc1: 4.809348 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: C6D6 dimension: 1 increment: 0.00006100000000000017 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1519 spectrumSize: 65536 baseFrequency: 600.36 digitalFilter: 76 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 13.6529284619938 numberOfPoints: 59 relaxationTime: 2 acquisitionTime: 0.00353800000000001 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-05-31T14:38:51.000Z isFt: true name: VS-20220531-Diterpen3/10 phc0: -77.10563 phc1: 4.809348 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: C6D6 dimension: 1 increment: 0.23539531831023794 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1519 spectrumSize: 65536 baseFrequency: 600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 13.6529284619938 numberOfPoints: 59 relaxationTime: 2 acquisitionTime: 0.00353800000000001 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-05-31T16:43:00.000Z isFt: false name: VS-20220531-Diterpen3/11 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: C6D6 dimension: 2 increment: 0.00006100000000000017 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1529 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 13.6529284619938,14.0000611251376 numberOfPoints: 6 relaxationTime: 1.5 acquisitionTime: 0.00030500000000000085 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-05-31T16:43:00.000Z isFt: true name: VS-20220531-Diterpen3/11 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: C6D6 dimension: 2 increment: 2.73058569239876 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1529 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 13.6529284619938,14.0000611251376 numberOfPoints: 6 relaxationTime: 1.5 acquisitionTime: 0.00030500000000000085 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-05-31T22:27:40.000Z isFt: false name: VS-20220531-Diterpen3/12 phc0: -444.7308,185.4236 phc1: 8.233569,0 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: C6D6 dimension: 2 increment: 0.000061000000000000175 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1508 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 13.6529284619938,210.020279633083 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0004880000000000014 frequencyOffset: 3602.1600000140097,16605.670627996005 originFrequency: 600.36360216,150.977247742628 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-06-01T22:37:16.000Z isFt: false name: VS-20220531-Diterpen3/13 phc0: -201.3522,181.6698 phc1: -180.0911,0 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: C6D6 dimension: 2 increment: 0.000061000000000000175 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1489 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hmbcetgpl3nd spectralWidth: 13.6529284619938,219.958972815675 numberOfPoints: 9 relaxationTime: 1.5 acquisitionTime: 0.0004880000000000014 frequencyOffset: 3602.1600000140097,16605.67099997934 originFrequency: 600.36360216,150.977247743 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-06-01T05:26:38.000Z isFt: false name: VS-20220531-Diterpen3/14 phc0: -70.58755 phc1: 23.1 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: C6D6 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: 300.1509 spectrumSize: 65536 baseFrequency: 150.960642072 digitalFilter: 76 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 216.454724474782 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.00029070000000000045 frequencyOffset: 16605.670627996005 originFrequency: 150.977247742628 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 date: 2022-06-01T05:26:38.000Z isFt: true name: VS-20220531-Diterpen3/14 phc0: -70.58755 phc1: 23.1 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: C6D6 dimension: 1 increment: 11.39235391972537 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1509 spectrumSize: 65536 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 216.454724474782 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.00029070000000000045 frequencyOffset: 16605.670627996005 originFrequency: 150.977247742628 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s300.d1747" ;
    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.s300.d1747#sample> ;
    dct:title "VS-20220531-Diterpen3[14]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p56.s300.d1747#measurement> .

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

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p56.s300.d1747#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p56.s300.d1747#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/11335109> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ISHVJVXYPLFKAL-UHFFFAOYSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C20H28O" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(C)C1CC2=O" ],
        [ 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 "284.4"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3" ] .

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

<https://doi.org/10.57992/nmrxiv.p56.s300.d1747#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/11335109> ;
    dct:title "evaluated sample" .