@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.p124.s1268.d5469> 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 -2121-08-6 (19) date: 2024-06-04T14:03:48.000Z isFt: true name: 2121-08-6 (19)/10 phc0: 36.54688 phc1: 38.25516 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.1162481271879529 isComplex: true probeName: 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 experiment: 1d groupDelay: 67.9862518310547 temperature: 292.9976 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9946778763279 numberOfPoints: 173 relaxationTime: 1 acquisitionTime: 0.00859999999999999 frequencyOffset: 3088.5074780258037 originFrequency: 500.133088507478 pulseStrength90: 21739.130434782608 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-06-05T01:37:54.000Z isFt: true name: 2121-08-6 (19)/11 phc0: -259.2202 phc1: 37.0756 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 8.159891946755069 isComplex: true probeName: 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 experiment: 1d groupDelay: 67.9838256835938 temperature: 293.0007 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.636866455897 numberOfPoints: 30 relaxationTime: 2 acquisitionTime: 0.000487200000000001 frequencyOffset: 12575.1863320005 originFrequency: 125.770363712332 pulseStrength90: 26315.78947368421 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p124.s1268.d5469" ;
    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.p124.s1268.d5469#sample> ;
    dct:title "2121-08-6 (19)[10]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p124.s1268.d5469#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.p124.s1268.d5469#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p124.s1268.d5469#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/154577681> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1CCN2C[C@@H]3CNC[C@@H](C3)[C@@H]2C1.Cl.Cl" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C11H20N2.2ClH/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1;;/h9-12H,1-8H2;2*1H/t9-,10+,11-;;/m0../s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "NTGJEGQLBWHVQV-VJRYUMJJSA-N" ] .

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

<https://doi.org/10.57992/nmrxiv.p124.s1268.d5469#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/154577681> ;
    dct:title "evaluated sample" .