@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.p116.s1188.d5153> 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 -34d date: 2022/12/29 16:50:29.000 isFt: true name: 34d-C type: NMR SPECTRUM isFid: false lastX: -518.8654304695674 title: LJC-113-10-A.2.fid firstX: 30731.134569530434 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2025/05/27 09:11:07.000 isFt: true name: 34d-H type: NMR SPECTRUM isFid: false lastX: -768.1536484788794 title: HXY-17-58-3.1.fid firstX: 8246.131879263921 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.193751425 acquisitionScheme: undefined" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p116.s1188.d5153" ;
    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.p116.s1188.d5153#sample> ;
    dct:title "34d[34d-C.jdx]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#measurement> .

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

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#sample> .

<https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1=CC=C(C2CC(C3=CC4=C(C=C3)N=CS4)C3=CC=CC=C3O2)C=C1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "TWYJREDWCZHZJJ-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C22H17NOS/c1-2-6-15(7-3-1)21-13-18(17-8-4-5-9-20(17)24-21)16-10-11-19-22(12-16)25-14-23-19/h1-12,14,18,21H,13H2" ] .

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

<https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p116.s1188.d5153#sample_compound> ;
    dct:title "evaluated sample" .