@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 "Peter Spiteller" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample containing Chamazulene" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s1312.d5764" ;
    dct:issued "2025-12-17"^^xsd:date ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:modified "2026-01-03"^^xsd:date ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p42.s1312.d5764#sample> ;
    dct:title "Chamazulene[4]" ;
    dcat:landingPage <https://nmrxiv.org/D5764> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s1312.d5764#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" .

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        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p42.s1312.d5764#spectrum> .

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        prov:Entity ;
    dct:hasPart <https://doi.org/10.57992/nmrxiv.p42.s1312.d5764#sample_compound> ;
    dct:relation [ a cheminf:000018,
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            dct:title "assigned SMILES" ;
            prov:value "CCC1=CC2=C(C)C=CC2=C(C)C=C1" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
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        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CCC1=CC2=C(C)C=CC2=C(C)C=C1" ],
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            dct:title "assigned InChi" ;
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        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
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            dct:title "assigned IUPACChemicalFormula" ;
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        prov:Entity .

<https://nmrxiv.org/D5764> a foaf:Document .

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cheminf:000037 a schema1:DefinedTerm ;
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cheminf:000059 a schema1:DefinedTerm ;
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cheminf:000113 a schema1:DefinedTerm ;
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