@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix ns1: <http://qudt.org/schema/qudt/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p57.s363.d1905> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by/4.0/legalcode> ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Dr. Alexander Otto" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Prof. Dr. Ludger A. Wessjohann" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Dr. Eileen Bette" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Dr. Norbert Arnold" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
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                    skos:prefLabel "person" ] ;
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            foaf:name "Toni Ditfe" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "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" ;
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    dct:language [ a dct:LinguisticSystem ;
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            dct:title "en" ] ;
    dct:modified "2025-02-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
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                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p57.s363.d1905#sample> ;
    dct:title "5a_Varian." ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p57.s363.d1905" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/nmrxiv-d1905" ] ;
    dcat:landingPage <https://nmrxiv.org/D1905> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p57.s363.d1905#measurement> .

obi:0000070 a schema1:DefinedTerm ;
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<https://creativecommons.org/licenses/by/4.0/legalcode> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution 4.0 International" .

<https://doi.org/10.57992/nmrxiv.p57.s363.d1905#measurement> a obi:0000070,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p57.s363.d1905#sample> .

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

<https://pubchem.ncbi.nlm.nih.gov/compound/10679980> a chebi:23367 ;
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            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCC(O)C1=CC=CO1" ],
        [ 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 "210.31"^^xsd:float ],
        [ a cheminf:000113 ;
            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:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C13H22O2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "WCDUEUSLTDIZHW-UHFFFAOYSA-N" ] .

<https://doi.org/10.57992/nmrxiv.p57.s363.d1905#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/10679980> ;
    dct:title "evaluated sample" .