@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/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150> 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 1H--1H correlation spectroscopy (1H-1H COSY)

""" ;
    dct:identifier "https://doi.org/10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150" ;
    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/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150#sample> ;
    dct:title "1H--1H correlation spectroscopy (1H-1H COSY)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150#measurement> .

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

chmo:0001150 a schema1:DefinedTerm ;
    schema1:name "1H–1H correlation spectroscopy" .

<https://doi.org/10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150#measurement> a chmo:0001150,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/176528096> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=c1c2cc3-c4ccccc4C4(c3cc2n2c3c1cccc3c(=O)c1c2cccc1)c1ccccc1-c1c4cccc1" ],
        [ 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 "535.5895399999999"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "FXBSVQLXPFJQAD-UHFFFAOYSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C39H21NO2" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "spiro[1-azaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene-5,9'-fluorene]-15,21-dione" ] .

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

<https://doi.org/10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0001150#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/176528096> ;
    dct:title "evaluated sample" .

