@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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        [ a dct:Standard ] ;
    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 -5c_Varian name: 5c_HEE152_20130301_01.13C.fid phc0: 143.338821831 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776682 spectralWidth: 248.6751169628855 numberOfPoints: 32768 frequencyOffset: 11058.417999990412 originFrequency: 100.5438351 name: 5c_HEE152_20130301_01.1H.fid phc0: -57.8027744944 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876786 spectralWidth: 17.96822071352622 numberOfPoints: 16384 frequencyOffset: 2799.1139999699044 originFrequency: 399.8146759 name: 5c_HEE152_20130301_01.dept.fid phc0: -302.325104158 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776682 spectralWidth: 248.6751169628855 numberOfPoints: 32768 frequencyOffset: 11058.417999990412 originFrequency: 100.5438351" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p57.s364.d1910" ;
    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.s364.d1910/sample> ;
    dct:title "5c_Varian." ;
    dcat:landingPage <https://nmrxiv.org/D1910> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p57.s364.d1910/analysis> .

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    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.s364.d1910/spectrum> .

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            dct:title "assigned InChiKey" ;
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        [ a cheminf:000059,
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        [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C17H30O2" ],
        [ a cheminf:000018,
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            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCCCCCC(O)C1=CC=CO1" ],
        [ a cheminf:000113,
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        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCCCCCC(O)C1=CC=CO1" ] .

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cheminf:000059 a schema1:DefinedTerm ;
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