@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/PIQUIJJCADCIDM-UHFFFAOYSA-L/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/PIQUIJJCADCIDM-UHFFFAOYSA-L/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/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763#sample> ;
    dct:title "attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/PIQUIJJCADCIDM-UHFFFAOYSA-L/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/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763#measurement> a chmo:0000763,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/169422766> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C21H48Br2CuN10" ],
        [ 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 "664.0268199999998"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CN(C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C)C.[Cu+2].[Br-].[Br-]" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "PIQUIJJCADCIDM-UHFFFAOYSA-L" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2" ] .

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

<https://doi.org/10.14272/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/169422766> ;
    dct:title "evaluated sample" .