@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 ],
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            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:creator [ a foaf:Agent ;
            foaf:name "Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -5a_Varian name: 5a_HEE184_2_20130614_01.13C.fid phc0: -51.5109489052 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351 name: 5a_HEE184_2_20130614_01.1H.fid phc0: 178.558408091 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876855 spectralWidth: 17.96822071042525 numberOfPoints: 16384 frequencyOffset: 2799.045000017486 originFrequency: 399.8146759 name: 5a_HEE184_2_20130614_01.dept.fid phc0: -146 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p57.s363.d1905" ;
    dct:issued "2024-05-15"^^xsd:date ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:modified "2025-02-03"^^xsd:date ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p57.s363.d1905/sample> ;
    dct:title "5a_Varian." ;
    dcat:landingPage <https://nmrxiv.org/D1905> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p57.s363.d1905/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.p57.s363.d1905/spectrum> .

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    dct:relation [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C13H22O2" ],
        [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C13H22O2" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
            prov:value "WCDUEUSLTDIZHW-UHFFFAOYSA-N" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChi" ;
            prov:value "InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3" ],
        [ a cheminf:000113,
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        [ a cheminf:000059,
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            dct:title "assigned InChiKey" ;
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        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCC(O)C1=CC=CO1" ],
        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCC(O)C1=CC=CO1" ] .

<https://doi.org/10.57992/nmrxiv.p57.s363.d1905/spectrum> a chmo:0000800,
        prov:Entity .

<https://nmrxiv.org/D1905> a foaf:Document .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
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cheminf:000018 a schema1:DefinedTerm ;
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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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