@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.p150.s1511.d6646> 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.p150.s1511.d6646" ;
    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.p150.s1511.d6646#sample> ;
    dct:title "2[1 H]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p150.s1511.d6646#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.p150.s1511.d6646#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p150.s1511.d6646#sample> .

<https://doi.org/10.57992/nmrxiv.p150.s1511.d6646#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CUESBZUUNLTMKN-UPCVWKPVSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5C6CC[C@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)OO[C@]6(C)CO" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C29H46O4/c1-24(2)20-10-13-27(5)21(25(20,3)12-11-22(24)31)8-7-18-23-19-9-14-29(23,16-15-26(18,27)4)33-32-28(19,6)17-30/h18-21,23,30H,7-17H2,1-6H3/t18-,19?,20+,21-,23+,25+,26-,27-,28-,29-/m1/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p150.s1511.d6646#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p150.s1511.d6646#sample_compound> ;
    dct:title "evaluated sample" .