@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.p73.s602.d3205> 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 -butyl acrylate date: 2006-02-21T14:47:00.000Z isFt: true name: butyl acrylate/10 phc0: 153.7297 phc1: -4 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, XWIN-NMR		Version 3.6 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00031467867742871445 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.6224671252908 numberOfPoints: 65536 relaxationTime: 2 acquisitionTime: 2.6476140000000057 frequencyOffset: 3706.0484139601613 originFrequency: 600.133706048414 pulseStrength90: 29411.764705882353 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 date: 2006-02-21T15:14:08.000Z isFt: false name: butyl acrylate/11 phc0: -69.7384 phc1: -66.6001 type: NMR FID DECIM: 4 aqMod: 1 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000013900000000000008 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 150.902809 digitalFilter: 66.625 fieldStrength: 14.092007892665164 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 238.349614631325 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00005560000000000003 frequencyOffset: 15089.806853012533 originFrequency: 150.917898806853 pulseStrength90: 18656.716417910447 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 isFt: false name: butyl acrylate/12 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014, experiment: cosy temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 16,16 pulseSequence: cosygpqf,mlevtp spectralWidth: 7.49235686957435,7.49235686957435 numberOfPoints: 8 relaxationTime: 1.388178 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,1968.6142079535784 originFrequency: 600.131968614208,600.131968614208 pulseStrength90: 29411.764705882353 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 isFt: false name: butyl acrylate/13 phc0: 286.6095,0 phc1: -16.2,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014,09 experiment: hsqc temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 64,16 pulseSequence: hsqcedetgp,hxco spectralWidth: 7.49235686957435,165.657191919706 numberOfPoints: 8 relaxationTime: 1.450029 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,11254.617096000175 originFrequency: 600.131968614208,150.914063617096 pulseStrength90: 29411.764705882353 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p73.s602.d3205" ;
    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.p73.s602.d3205#sample> ;
    dct:title "butyl acrylate.1d" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p73.s602.d3205#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.p73.s602.d3205#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p73.s602.d3205#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/8846> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C7H12O2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CQEYYJKEWSMYFG-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=CC(=O)OCCCC" ],
        [ 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 "128.17"^^xsd:float ] .

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

<https://doi.org/10.57992/nmrxiv.p73.s602.d3205#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/8846> ;
    dct:title "evaluated sample" .