@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 chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@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 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.p80.s702.d3457> 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 "Rachel Chen" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "and Gavin R. Flematti" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Brodie W. Bulcock" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Ernest Lacey" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Yit-Heng Chooi" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Epicyclonerodiol Oxide date: 2022-01-14T06:50:44.000Z isFt: true name: Epicyclonerodiol Oxide/1 phc0: 69.26925 phc1: -6.549433 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.20082348278804707 isComplex: true probeName: Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB) experiment: 1d groupDelay: 76 temperature: 297.998 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.4839952443808 numberOfPoints: 103 relaxationTime: 3 acquisitionTime: 0.006221999999999999 frequencyOffset: 2470.9260000008726 originFrequency: 400.152470926 pulseStrength90: 32467.532467532466 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-19T17:28:01.000Z isFt: true name: Epicyclonerodiol Oxide/2 phc0: -28.39994 phc1: 30.95964 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 11.8304831152233 isComplex: true probeName: Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB) experiment: 1d groupDelay: 76 temperature: 297.4529 spectrumSize: 131072 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.609662304466 numberOfPoints: 21 relaxationTime: 2 acquisitionTime: 0.00042000000000000007 frequencyOffset: 10061.778999997274 originFrequency: 100.627859309 pulseStrength90: 27777.777777777777 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p80.s702.d3457" ;
    dct:issued "2025-02-03"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-02-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p80.s702.d3457#sample> ;
    dct:title "Epicyclonerodiol Oxide.1d" ;
    adms:identifier [ 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-d3457" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p80.s702.d3457" ] ;
    dcat:landingPage <https://nmrxiv.org/D3457> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p80.s702.d3457#measurement> .

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<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.p80.s702.d3457#measurement> a chmo:0000593,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p80.s702.d3457#sample> .

<https://nmrxiv.org/D3457> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/54753974> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C[C@H]1[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)CC[C@@]1(C)O" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CTTSYRDQSMAGNT-SZWZKDINSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,14+,15+/m0/s1" ] .

<https://doi.org/10.57992/nmrxiv.p80.s702.d3457#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/54753974> ;
    dct:title "evaluated sample" .