@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 dcatap: <http://data.europa.eu/r5r/> .
@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/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597> a dcat:Dataset ;
    dcatap:applicableLegislation <https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#license_notspecified> ;
    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 "Lisa Schmidt" ] ;
    dct:description "dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)" ;
    dct:identifier "https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597" ;
    dct:issued "2024-09-08"^^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/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#sample> ;
    dct:title "19F nuclear magnetic resonance spectroscopy (19F 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-qpmrfibnwhzvrl-uhfffaoysa-n-chmo0000597" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#measurement> .

chmo:0000597 a schema1:DefinedTerm ;
    schema1:name "19F nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#license_notspecified> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "License Not Specified" .

<https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#measurement> a chmo:0000597,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/169448339> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C27H3F12N9O6/c28-10-7(11(29)17(35)22(16(10)34)43-46-40)25(49)52-4-1-5(53-26(50)8-12(30)18(36)23(44-47-41)19(37)13(8)31)3-6(2-4)54-27(51)9-14(32)20(38)24(45-48-42)21(39)15(9)33/h1-3H" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1cc(OC(=O)c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])cc(c1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[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 "777.3502583999998"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C27H3F12N9O6" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "[3,5-bis[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]phenyl] 4-azido-2,3,5,6-tetrafluorobenzoate" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QPMRFIBNWHZVRL-UHFFFAOYSA-N" ] .

<https://www.chemotion-repository.net/inchikey/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597> a foaf:Document .

<https://doi.org/10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/169448339> ;
    dct:title "evaluated sample" .