@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.p123.s1252.d5386> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "No description" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p123.s1252.d5386" ;
    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.p123.s1252.d5386#sample> ;
    dct:title "PB-1997B-lc1[5]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#measurement> .

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

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#sample> .

<https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QEHSXVIBJKPQHF-MGLXSURYSA-M" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C37H35N2O.BrH/c1-3-25-22-38-18-17-27(25)19-34(38)37-30-14-8-12-26-11-7-13-29(35(26)30)36-31-20-28(40-2)15-16-33(31)39(23-32(36)37)21-24-9-5-4-6-10-24;/h3-16,20,23,25,27,34,37H,1,17-19,21-22H2,2H3;1H/q+1;/p-1/t25-,27-,34-,37+;/m0./s1" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H]1C2=C(C3=C4C1=CC=CC4=CC=C3)C1=CC(OC)=CC=C1[N+](CC1=CC=CC=C1)=C2.[Br-]" ] .

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

<https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p123.s1252.d5386#sample_compound> ;
    dct:title "evaluated sample" .