@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Daniel Knoll" ] ;
    dct:description "dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    dct:identifier "https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1" ;
    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/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1#sample> ;
    dct:title "13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    adms:identifier [ 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-vswkzjyvjraepl-uhfffaoysa-n-chmo0000595-1" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1#measurement> .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1#measurement> a chmo:0000595,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/166451837> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2" ],
        [ 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 "561.6512410000001"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C39H32NOP" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=P(c1cc2CCc3ccc(CCc1cc2)c(c3)c1ccc(cc1)c1ccccn1)(c1ccccc1)c1ccccc1" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[4-(12-diphenylphosphoryl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)phenyl]pyridine" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "VSWKZJYVJRAEPL-UHFFFAOYSA-N" ] .

<https://www.chemotion-repository.net/inchikey/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1> a foaf:Document .

<https://doi.org/10.14272/VSWKZJYVJRAEPL-UHFFFAOYSA-N/CHMO0000595.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/166451837> ;
    dct:title "evaluated sample" .