@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/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR> 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 "Fabian Hundemer" ] ;
    dct:description "dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)" ;
    dct:identifier "https://doi.org/10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR" ;
    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 "2025-12-02"^^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/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR#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-qpdctmhekhwbqo-uhfffaoysa-n-13cnmr" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR#measurement> .

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

<https://doi.org/10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR#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/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/135121347> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C72H32F30N8O2" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-[2,3,4,6-tetra(carbazol-9-yl)-5-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)F" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C72H32F30N8O2/c73-59(74,61(77,78)63(81,82)65(85,86)67(89,90)69(93,94)71(97,98)99)57-105-103-55(111-57)49-51(107-41-25-9-1-17-33(41)34-18-2-10-26-42(34)107)50(56-104-106-58(112-56)60(75,76)62(79,80)64(83,84)66(87,88)68(91,92)70(95,96)72(100,101)102)53(109-45-29-13-5-21-37(45)38-22-6-14-30-46(38)109)54(110-47-31-15-7-23-39(47)40-24-8-16-32-48(40)110)52(49)108-43-27-11-3-19-35(43)36-20-4-12-28-44(36)108/h1-32H" ],
        [ 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 "1611.0289760000007"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QPDCTMHEKHWBQO-UHFFFAOYSA-N" ] .

<https://www.chemotion-repository.net/inchikey/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR> a foaf:Document .

<https://doi.org/10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/13CNMR#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/135121347> ;
    dct:title "evaluated sample" .