@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.p42.s259.d1505> 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 -Chamazulene date: 2008-03-20T10:22:07.000Z isFt: true name: Chamazulene/1 phc0: 54.79976 phc1: -8.4 type: NMR FID DECIM: 32 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00008319999999999994 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: proton groupDelay: -1 temperature: 300 spectrumSize: 16384 baseFrequency: 600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: zg spectralWidth: 10.0138089073298 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.0012479999999999991 frequencyOffset: 2820.611000061035 originFrequency: 600.132820611 pulseStrength90: 24752.475247524755 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2008-03-15T23:46:01.000Z isFt: true name: Chamazulene/2 phc0: 68.7127 phc1: 20.8 type: NMR FID DECIM: 4 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000014400000000000003 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: apt groupDelay: -1 temperature: 300 spectrumSize: 32768 baseFrequency: 150.902749 digitalFilter: 66.625 fieldStrength: 14.092002289585412 numberOfScans: 4096 pulseSequence: aptsp.ber spectralWidth: 230.070686481855 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.00014400000000000003 frequencyOffset: 17052.010637002015 originFrequency: 150.919801010637 pulseStrength90: 18518.51851851852 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2008-03-15T23:46:32.000Z isFt: false name: Chamazulene/3 phc0: -179.3321,0 phc1: -5.2,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00008319999999999994 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: cosy groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: cosygpmfph spectralWidth: 10.0138089073298,9.99878669174724 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00016639999999999987 frequencyOffset: 2820.611000061035,2820.611000061035 originFrequency: 600.132820611,600.132820611 pulseStrength90: 23809.52380952381 experimentNumber: 3 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2008-03-16T02:17:56.000Z isFt: false name: Chamazulene/5 phc0: -147.6524,-11.79688 phc1: 12,28 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00008319999999999994 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: hsqc groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: hsqcetgpsp spectralWidth: 10.0138089073298,169.903042289205 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00016639999999999987 frequencyOffset: 2820.611000061035,12826.738764999845 originFrequency: 600.132820611,150.915635738765 pulseStrength90: 23809.52380952381 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2008-03-16T02:59:18.000Z isFt: false name: Chamazulene/6 phc0: -179.3321,0 phc1: -5.2,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00008319999999999994 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: hmbc groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: hmbcgpl2ndqf spectralWidth: 10.0138089073298,169.903042289205 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00016639999999999987 frequencyOffset: 2820.611000061035,12826.738764999845 originFrequency: 600.132820611,150.915635738765 pulseStrength90: 23809.52380952381 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2008-03-22T13:38:20.000Z isFt: false name: Chamazulene/4 phc0: -27.69616,88.61367 phc1: -12,-174.8 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00008319999999999992 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: noesy groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 64 pulseSequence: noesyph spectralWidth: 10.0138089073298,9.99878669174724 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0004991999999999996 frequencyOffset: 2820.611000061035,2820.611000061035 originFrequency: 600.132820611,600.132820611 pulseStrength90: 23809.52380952381 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s259.d1505" ;
    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.p42.s259.d1505#sample> ;
    dct:title "Chamazulene.hmbc" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s259.d1505#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.p42.s259.d1505#measurement> a chmo:0000601,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p42.s259.d1505#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/10719> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C14H16" ],
        [ 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 "184.28"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "GXGJIOMUZAGVEH-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCC1=CC2=C(C)C=CC2=C(C)C=C1" ] .

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

<https://doi.org/10.57992/nmrxiv.p42.s259.d1505#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/10719> ;
    dct:title "evaluated sample" .