@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

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    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ],
        [ a dct:Standard ] ;
    dct:creator [ a foaf:Agent ;
            foaf:name "Stefan Bräse" ] ;
    dct:description """dataset for 13C solid-state nuclear magnetic resonance spectroscopy (13C solid-state NMR)

""" ;
    dct:identifier "https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080" ;
    dct:issued "2026-03-26"^^xsd:date ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:modified "2026-03-28"^^xsd:date ;
    dct:publisher <https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> ;
    dct:subject <https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#sample> ;
    dct:title "13C solid-state nuclear magnetic resonance spectroscopy (13C solid-state NMR)" ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#analysis> .

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

<http://purl.allotrope.org/ontologies/process#AFP_0003618> a schema1:DefinedTerm ;
    schema1:name "peak identification" .

chmo:0000800 a schema1:DefinedTerm ;
    schema1:name "spectrum" .

chmo:0001080 a schema1:DefinedTerm ;
    schema1:name "13C solid-state nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#analysis> a <http://purl.allotrope.org/ontologies/process#AFP_0003618>,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#spectrum> .

<https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#measurement> a chmo:0001080,
        prov:Activity .

<https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#sample> a chebi:59999,
        prov:Entity ;
    dct:hasPart <https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#sample_compound> ;
    dct:relation [ a cheminf:000018,
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            dct:title "assigned SMILES" ;
            prov:value "O=C1OC(=O)c2c1cc(cc2)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc2c(c1)C(=O)OC2=O" ],
        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "O=C1OC(=O)c2c1cc(cc2)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc2c(c1)C(=O)OC2=O" ],
        [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C32H20O6" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
            prov:value "OEDVNYZBGRXWAA-UHFFFAOYSA-N" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChi" ;
            prov:value "InChI=1S/C32H20O6/c33-29-23-11-9-21(15-27(23)31(35)37-29)25-13-17-1-2-18-4-6-20(8-7-19(25)5-3-17)26(14-18)22-10-12-24-28(16-22)32(36)38-30(24)34/h3-6,9-16H,1-2,7-8H2" ],
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                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C32H20O6" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
            prov:value "OEDVNYZBGRXWAA-UHFFFAOYSA-N" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChi" ;
            prov:value "InChI=1S/C32H20O6/c33-29-23-11-9-21(15-27(23)31(35)37-29)25-13-17-1-2-18-4-6-20(8-7-19(25)5-3-17)26(14-18)22-10-12-24-28(16-22)32(36)38-30(24)34/h3-6,9-16H,1-2,7-8H2" ] ;
    dct:title "evaluated sample" .

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        prov:Entity ;
    prov:wasGeneratedBy <https://doi.org/10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080#measurement> .

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

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    schema1:name "SMILES" .

cheminf:000037 a schema1:DefinedTerm ;
    schema1:name "IUPACChemicalFormula" .

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

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