@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/PZIUAIFVNYNUGS-UHFFFAOYSA-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/PZIUAIFVNYNUGS-UHFFFAOYSA-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/PZIUAIFVNYNUGS-UHFFFAOYSA-N/CHMO0000630#sample> ;
    dct:title "infrared absorption spectroscopy (IR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/PZIUAIFVNYNUGS-UHFFFAOYSA-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/PZIUAIFVNYNUGS-UHFFFAOYSA-N/CHMO0000630#measurement> a chmo:0000630,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/PZIUAIFVNYNUGS-UHFFFAOYSA-N/CHMO0000630#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172877794> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C[Si](C#Cc1ccc2c(c1)nc(c(n2)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)(C)C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "PZIUAIFVNYNUGS-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C65H68N4Si/c1-62(2,3)44-21-30-56-50(37-44)51-38-45(63(4,5)6)22-31-57(51)68(56)48-25-17-42(18-26-48)60-61(67-55-36-41(16-29-54(55)66-60)34-35-70(13,14)15)43-19-27-49(28-20-43)69-58-32-23-46(64(7,8)9)39-52(58)53-40-47(65(10,11)12)24-33-59(53)69/h16-33,36-40H,1-15H3" ],
        [ 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 "933.3477200000008"^^xsd:float ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[2,3-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]quinoxalin-6-yl]ethynyl-trimethylsilane" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C65H68N4Si" ] .

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

<https://doi.org/10.14272/PZIUAIFVNYNUGS-UHFFFAOYSA-N/CHMO0000630#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172877794> ;
    dct:title "evaluated sample" .