@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/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630> 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 infrared absorption spectroscopy (IR)

""" ;
    dct:identifier "https://doi.org/10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630" ;
    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/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630#sample> ;
    dct:title "infrared absorption spectroscopy (IR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630#measurement> .

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

chmo:0000630 a schema1:DefinedTerm ;
    schema1:name "infrared absorption spectroscopy" .

<https://doi.org/10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630#measurement> a chmo:0000630,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163197187> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C29H17F17N4O/c1-14-15(48-17-7-3-2-6-16(17)47-14)10-11-20-21(50-19-9-5-4-8-18(19)49-20)51-13-12-22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h2-11H,12-13H2,1H3/b11-10+" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C29H17F17N4O" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "LLUMMIBMIRCYOD-ZHACJKMWSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-3-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]quinoxaline" ],
        [ 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 "760.4443343999997"^^xsd:float ] .

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

<https://doi.org/10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000630#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163197187> ;
    dct:title "evaluated sample" .