@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.s1190.d5157> 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 -23d date: 2023/01/06 10:03:43.000 isFt: true name: 23d-C type: NMR SPECTRUM isFid: false lastX: -520.1481617075915 title: LJC-113-22-A.2.fid firstX: 30729.85183829241 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: 2023/02/21 08:18:46.000 isFt: true name: 23d-F type: NMR SPECTRUM isFid: false lastX: -61722.364078126 title: LJC-113-22-A-F.3.fid firstX: 5241.921636159699 nucleus: 19F solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgflqn numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 282.376114778779 acquisitionScheme: undefined date: 2023/01/05 16:49:33.000 isFt: true name: 23d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-113-22-A.11.fid firstX: 8246.848069413432 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p116.s1190.d5157" ;
    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.s1190.d5157#sample> ;
    dct:title "23d[23d-C.jdx]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p116.s1190.d5157#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.s1190.d5157#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p116.s1190.d5157#sample> .

<https://doi.org/10.57992/nmrxiv.p116.s1190.d5157#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C22H17F3O/c23-22(24,25)17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(19)20/h1-13,19,21H,14H2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "NRXOWYGJRFFBLK-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "FC(F)(F)C1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1" ] .

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

<https://doi.org/10.57992/nmrxiv.p116.s1190.d5157#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p116.s1190.d5157#sample_compound> ;
    dct:title "evaluated sample" .