@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/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292> 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 ultraviolet-visible spectrophotometry (UV-VIS)

""" ;
    dct:identifier "https://doi.org/10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292" ;
    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/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292#sample> ;
    dct:title "ultraviolet-visible spectrophotometry (UV-VIS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292#measurement> .

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

chmo:0000292 a schema1:DefinedTerm ;
    schema1:name "ultraviolet-visible spectrophotometry" .

<https://doi.org/10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292#measurement> a chmo:0000292,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163197185> a chebi:23367 ;
    sio:000008 [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "3-[(E)-2-[3-[(E)-2-[3-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(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 "C41H23F17N6O3" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "MKIBBHSNDASGGI-ZBMVRHCNSA-N" ],
        [ 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 "970.6325744000002"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C41H23F17N6O3/c42-34(43,35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58)17-20-19-66-33(67-20)32-30(62-25-11-5-6-12-26(25)64-32)16-15-28-27(59-21-7-1-2-8-22(21)60-28)13-14-29-31(18-65)63-24-10-4-3-9-23(24)61-29/h1-16,18,20,33H,17,19H2/b14-13+,16-15+" ] .

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

<https://doi.org/10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000292#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163197185> ;
    dct:title "evaluated sample" .

