@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.p60.s394.d2021> 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 -wil-190619-180641_oa date: 2019-06-19T16:33:02.000Z isFt: false name: wil-190619-180641_oa/1 phc0: 13.77798 phc1: 48.38174 type: NMR FID DECIM: 3328 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00008319999999999985 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 298.16 spectrumSize: 32768 baseFrequency: 300.13 digitalFilter: 67.9842681884766 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.001081599999999998 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:33:02.000Z isFt: true name: wil-190619-180641_oa/1 phc0: 13.77798 phc1: 48.38174 type: NMR Spectrum DECIM: 3328 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.5402500663761307 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 298.16 spectrumSize: 32768 baseFrequency: 300.13 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.001081599999999998 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:50:16.000Z isFt: false name: wil-190619-180641_oa/2 phc0: -53.4077 phc1: -3.064588 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000025333333333333303 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 65536 baseFrequency: 75.467749 digitalFilter: 67.9891052246094 fieldStrength: 7.047530271949235 numberOfScans: 192 pulseSequence: zgpg30 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:50:16.000Z isFt: true name: wil-190619-180641_oa/2 phc0: -53.4077 phc1: -3.064588 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 23.77252889037518 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 65536 baseFrequency: 75.467749 fieldStrength: 7.047530271949235 numberOfScans: 192 pulseSequence: zgpg30 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T17:00:09.000Z isFt: false name: wil-190619-180641_oa/3 phc0: 142.1428 phc1: -31.9269 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000025333333333333303 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: dept groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 32768 baseFrequency: 75.467749 digitalFilter: 67.9891052246094 fieldStrength: 7.047530271949235 numberOfScans: 96 pulseSequence: deptsp135 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T17:00:09.000Z isFt: true name: wil-190619-180641_oa/3 phc0: 142.1428 phc1: -31.9269 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 23.77252889037518 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: dept groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 32768 baseFrequency: 75.467749 fieldStrength: 7.047530271949235 numberOfScans: 96 pulseSequence: deptsp135 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p60.s394.d2021" ;
    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.p60.s394.d2021#sample> ;
    dct:title "wil-190619-180641_oa[1]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p60.s394.d2021#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.p60.s394.d2021#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p60.s394.d2021#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/11008438> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "[N-]=[N+]=NCCOCCOCCO" ],
        [ 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 "175.19"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "PMNIHDBMMDOUPD-UHFFFAOYSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C6H13N3O3" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C6H13N3O3/c7-9-8-1-3-11-5-6-12-4-2-10/h10H,1-6H2" ] .

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

<https://doi.org/10.57992/nmrxiv.p60.s394.d2021#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/11008438> ;
    dct:title "evaluated sample" .