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

<https://pubchem.ncbi.nlm.nih.gov/compound/172431647> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C49H37N5" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "5,10-bis(9,9-dimethylacridin-10-yl)-15,17,22-triazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene" ],
        [ 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 "695.8515800000002"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ncccc2n1)N1c2ccccc2C(c2c1cccc2)(C)C" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "YUGQZLIRQPRKQH-UHFFFAOYSA-N" ] .

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

<https://doi.org/10.14272/YUGQZLIRQPRKQH-UHFFFAOYSA-N/CHMO0000630#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172431647> ;
    dct:title "evaluated sample" .