@prefix adms: <http://www.w3.org/ns/adms#> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

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    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus" ;
            dct:title "DCAT-AP-PLUS" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Christoph Zippel" ] ;
    dct:description "dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    dct:identifier "https://doi.org/10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595" ;
    dct:issued "2024-09-07"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "Chemotion - Repository " ] ;
    dct:subject <https://doi.org/10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595#sample> ;
    dct:title "13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/10-14272-krjcobgzhyqkip-uhfffaoysa-n-chmo0000595" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595> ;
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chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

cheminf:000018 a schema1:DefinedTerm ;
    schema1:name "SMILES" .

cheminf:000042 a schema1:DefinedTerm ;
    schema1:name "molecular formula" .

cheminf:000059 a schema1:DefinedTerm ;
    schema1:name "InChiKey" .

cheminf:000107 a schema1:DefinedTerm ;
    schema1:name "IUPAC name" .

cheminf:000113 a schema1:DefinedTerm ;
    schema1:name "InChi" .

cheminf:000217 a schema1:DefinedTerm ;
    schema1:name "exact mass descriptor" .

<https://doi.org/10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/166451840> a prov:Entity ;
    dct:relation [ a cheminf:000042,
                prov:Entity ;
            dct:title "assigned molecular formula" ;
            prov:value "C40H32N2" ],
        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2c1ccc(cc1)n1c2ccccc2c2c1cccc2)cc3" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C40H32N2/c1-2-8-33(9-3-1)41-38-27-31-20-18-28-14-16-29(17-15-28)19-21-32(38)26-37(31)30-22-24-34(25-23-30)42-39-12-6-4-10-35(39)36-11-5-7-13-40(36)42/h1-17,22-27,41H,18-21H2" ],
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            dct:title "exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "540.6954800000001"^^xsd:float ],
        [ a cheminf:000107,
                prov:Entity ;
            dct:title "assigned IUPAC name" ;
            prov:value "15-(4-carbazol-9-ylphenyl)-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChIKey" ;
            prov:value "KRJCOBGZHYQKIP-UHFFFAOYSA-N" ] .

<https://www.chemotion-repository.net/inchikey/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595> a foaf:Document .

<https://doi.org/10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000595#sample> a prov:Entity ;
    dct:hasPart <https://pubchem.ncbi.nlm.nih.gov/compound/166451840> ;
    dct:title "evaluated sample" .