@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.s314.d1813> 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 -of_20220725_DT1 date: 2022-07-25T11:22:45.000Z isFt: false name: of_20220725_DT1/10 phc0: -73.46341 phc1: -3.77739 type: NMR FID DECIM: 3400 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00008500000000000011 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0005 spectrumSize: 65536 baseFrequency: 500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.7615831652035 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00025500000000000034 frequencyOffset: 2750.714999990578 originFrequency: 500.132750715 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-07-25T11:22:45.000Z isFt: true name: of_20220725_DT1/10 phc0: -73.46341 phc1: -3.77739 type: NMR Spectrum DECIM: 3400 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 3.9205277217345 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0005 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.7615831652035 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00025500000000000034 frequencyOffset: 2750.714999990578 originFrequency: 500.132750715 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-07-25T13:57:40.000Z isFt: false name: of_20220725_DT1/20 phc0: 67.81264,271.4007 phc1: 29.27378,-180 type: NMR FID DECIM: 4640 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00011599999999999997 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: roesy groupDelay: 68 temperature: 299.9999 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 digitalFilter: 68 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: roesyphpr.2 spectralWidth: 8.61840835194996,8.59987414044039 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0011599999999999998 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: States-TPPI linearPredictionBin: 0,456 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-25T13:57:40.000Z isFt: true name: of_20220725_DT1/20 phc0: 67.81264,271.4007 phc1: 29.27378,-180 type: NMR Spectrum DECIM: 4640 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.861840835194996 isComplex: false probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: roesy groupDelay: 68 temperature: 299.9999 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: roesyphpr.2 spectralWidth: 8.61840835194996,8.59987414044039 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0011599999999999998 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: States-TPPI linearPredictionBin: 0,456 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-25T14:52:06.000Z isFt: false name: of_20220725_DT1/200 phc0: 116.706,271.4007 phc1: -26.27622,-180 type: NMR FID DECIM: 4640 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00011599999999999999 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: roesy groupDelay: 68 temperature: 299.9999 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 digitalFilter: 68 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: roesyphpr.2 spectralWidth: 8.61840835194996,8.59987414044039 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.0008119999999999999 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 31250 experimentNumber: 200 acquisitionScheme: States-TPPI linearPredictionBin: 0,528 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-25T14:52:06.000Z isFt: true name: of_20220725_DT1/200 phc0: 116.706,271.4007 phc1: -26.27622,-180 type: NMR Spectrum DECIM: 4640 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.2312011931357085 isComplex: false probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: roesy groupDelay: 68 temperature: 299.9999 spectrumSize: 2048,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: roesyphpr.2 spectralWidth: 8.61840835194996,8.59987414044039 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.0008119999999999999 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 31250 experimentNumber: 200 acquisitionScheme: States-TPPI linearPredictionBin: 0,528 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-25T20:39:22.000Z isFt: false name: of_20220725_DT1/202 phc0: -72.85617,91.89803 phc1: 2.398018,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00010000000000000002 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 300.0038 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: noesygpph spectralWidth: 9.99735368824196,9.99735368824196 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.0007000000000000001 frequencyOffset: 2350.6119999865405,2350.6119999865405 originFrequency: 500.132350612,500.132350612 pulseStrength90: 31250 experimentNumber: 202 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2022-07-25T20:39:22.000Z isFt: true name: of_20220725_DT1/202 phc0: -72.85617,91.89803 phc1: 2.398018,-180 type: NMR Spectrum DECIM: 4000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.4281933840345657 isComplex: false probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 300.0038 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: noesygpph spectralWidth: 9.99735368824196,9.99735368824196 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.0007000000000000001 frequencyOffset: 2350.6119999865405,2350.6119999865405 originFrequency: 500.132350612,500.132350612 pulseStrength90: 31250 experimentNumber: 202 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s314.d1813" ;
    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.s314.d1813#sample> ;
    dct:title "of_20220725_DT1[10]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p56.s314.d1813#measurement> .

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

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p56.s314.d1813#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p56.s314.d1813#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/46705488> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "JMYBTVXXLMTVKS-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 "286.5"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)C1=CC=C2C(=C1)C(O)CC1C(C)(C)CCCC21C" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C20H30O" ] .

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

<https://doi.org/10.57992/nmrxiv.p56.s314.d1813#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/46705488> ;
    dct:title "evaluated sample" .