@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/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763> 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 attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

""" ;
    dct:identifier "https://doi.org/10.14272/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763" ;
    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/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763#sample> ;
    dct:title "attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763#measurement> .

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

chmo:0000763 a schema1:DefinedTerm ;
    schema1:name "attenuated total reflectance Fourier transform infrared spectroscopy" .

<https://doi.org/10.14272/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763#measurement> a chmo:0000763,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/164889656> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "c1ccc2n(c1)c(NC13CC4CC(C3)CC(C1)C4)c(n2)c1cc2CCc3ccc(CCc1cc2)cc3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C33H35N3" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-(1-adamantyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine" ],
        [ 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 "473.6511"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ZZNOUKNDCQUCGA-UHFFFAOYSA-N" ] .

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

<https://doi.org/10.14272/ZZNOUKNDCQUCGA-UHFFFAOYSA-N/CHMO0000763#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/164889656> ;
    dct:title "evaluated sample" .