@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/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR> 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 1H nuclear magnetic resonance spectroscopy (1H NMR)

""" ;
    dct:identifier "https://doi.org/10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR" ;
    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/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR#sample> ;
    dct:title "1H nuclear magnetic resonance spectroscopy (1H NMR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR#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/10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/137321246> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C26H28N4" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "~{N}-~{tert}-butyl-2-(5-tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyrazin-3-amine" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(Nc1c(nc2n1ccnc2)c1cc2ccc1CCc1ccc(CC2)cc1)(C)C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "XDVGAMLXRDOWHU-UHFFFAOYSA-N" ],
        [ 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 "396.52732000000015"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C26H28N4/c1-26(2,3)29-25-24(28-23-17-27-14-15-30(23)25)22-16-20-9-8-18-4-6-19(7-5-18)10-12-21(22)13-11-20/h4-7,11,13-17,29H,8-10,12H2,1-3H3" ] .

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

<https://doi.org/10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/1HNMR#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/137321246> ;
    dct:title "evaluated sample" .