@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 ns1: <http://qudt.org/schema/qudt/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description """dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

""" ;
    dct:identifier "https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> ;
    dct:subject <https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595#sample> ;
    dct:title "13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595#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/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172877830> a chebi:23367 ;
    sio:000008 [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "3,6-ditert-butyl-1,8-bis(3-tert-butylquinoxalin-2-yl)-9H-carbazole" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "NHJSAGXAFNAWQK-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(c1cc(c2nc3ccccc3nc2C(C)(C)C)c2c(c1)c1cc(cc(c1[nH]2)c1nc2ccccc2nc1C(C)(C)C)C(C)(C)C)(C)C" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C44H49N5" ],
        [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "647.8933600000003"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C44H49N5/c1-41(2,3)25-21-27-28-22-26(42(4,5)6)24-30(38-40(44(10,11)12)48-34-20-16-14-18-32(34)46-38)36(28)49-35(27)29(23-25)37-39(43(7,8)9)47-33-19-15-13-17-31(33)45-37/h13-24,49H,1-12H3" ] .

<https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> a foaf:Organization ;
    foaf:name "Chemotion - Repository " .

<https://doi.org/10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000595#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172877830> ;
    dct:title "evaluated sample" .