@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p21.s145.d671> 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 -hexyl amine</br>date: 2020-08-18T14:39:14.000Z</br>isFt: false</br>name: hexyl amine/1</br>phc0: -25.86</br>phc1: 0</br>type: NMR FID</br>DECIM: 1664</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00004160000000002607</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.2138</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>digitalFilter: 76</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 10</br>relaxationTime: 1</br>acquisitionTime: 0.0003744000000002346</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-18T14:39:14.000Z</br>isFt: true</br>name: hexyl amine/1</br>phc0: -25.86</br>phc1: 0</br>type: NMR Spectrum</br>DECIM: 1664</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 2.2252875860131334</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.2138</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 10</br>relaxationTime: 1</br>acquisitionTime: 0.0003744000000002346</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 1</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-18T14:39:14.000Z</br>isFt: false</br>name: hexyl amine/2</br>phc0: -25.86</br>phc1: 0</br>type: NMR FID</br>DECIM: 1664</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00004160000000002607</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.2138</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>digitalFilter: 76</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 10</br>relaxationTime: 1</br>acquisitionTime: 0.0003744000000002346</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 2</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-18T14:39:14.000Z</br>isFt: true</br>name: hexyl amine/2</br>phc0: -25.86</br>phc1: 0</br>type: NMR Spectrum</br>DECIM: 1664</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 2.2252875860131334</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.2138</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 10</br>relaxationTime: 1</br>acquisitionTime: 0.0003744000000002346</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 2</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-17T22:32:02.000Z</br>isFt: false</br>name: hexyl amine/3</br>phc0: 115.42</br>phc1: 0</br>type: NMR FID</br>DECIM: 1664</br>aqMod: 3</br>isFid: true</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.00004160000000002607</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.1186</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>digitalFilter: 76</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 23</br>relaxationTime: 1</br>acquisitionTime: 0.0009152000000005736</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 3</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>date: 2020-08-17T22:32:02.000Z</br>isFt: true</br>name: hexyl amine/3</br>phc0: 115.42</br>phc1: 0</br>type: NMR Spectrum</br>DECIM: 1664</br>aqMod: 3</br>isFid: false</br>tdOff: 0</br>title: Parameter file, TopSpin 3.6.1</br>DSPFVS: 21</br>nucleus: 1H</br>reverse: false</br>solvent: CDCl3</br>dimension: 1</br>increment: 0.9103449215508274</br>isComplex: true</br>probeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)</br>experiment: 1d</br>groupDelay: 76</br>temperature: 298.1186</br>spectrumSize: 65536</br>baseFrequency: 600.13</br>fieldStrength: 14.095010340939984</br>numberOfScans: 16</br>pulseSequence: zg30</br>spectralWidth: 20.0275882741182</br>numberOfPoints: 23</br>relaxationTime: 1</br>acquisitionTime: 0.0009152000000005736</br>frequencyOffset: 3705.8020000131364</br>originFrequency: 600.133705802</br>pulseStrength90: 27932.96089385475</br>experimentNumber: 3</br>acquisitionScheme: 0</br>linearPredictionBin: 0</br>lpNumberOfCoefficients: 0</br>windowMultiplicationMode: 1</br>" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p21.s145.d671" ;
    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.p21.s145.d671#sample> ;
    dct:title "hexyl amine[3]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p21.s145.d671#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.p21.s145.d671#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p21.s145.d671#sample> .

<https://doi.org/10.57992/nmrxiv.p21.s145.d671#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "VHIPBYKFBTVLCK-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCC(=O)OC1=C(OCC2=CC=CC=C2)C=CC(CCN)=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C21H27NO3/c1-2-3-5-10-21(23)25-20-15-17(13-14-22)11-12-19(20)24-16-18-8-6-4-7-9-18/h4,6-9,11-12,15H,2-3,5,10,13-14,16,22H2,1H3" ] .

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

<https://doi.org/10.57992/nmrxiv.p21.s145.d671#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p21.s145.d671#sample_compound> ;
    dct:title "evaluated sample" .