@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.p116.s1177.d5129> 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:description "This dataset contains NMR spectra obtained for the sample -39d date: 2023/02/07 18:41:12.000 isFt: true name: 39d-C type: NMR SPECTRUM isFid: false lastX: -519.8840699821161 title: LJC-115-3-B.2.fid firstX: 30730.115930017884 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2023/02/07 18:24:38.000 isFt: true name: 39d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-115-3-B.1.fid firstX: 8246.848069413432 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p116.s1177.d5129" ;
    dct:issued "2025-07-19"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-07-19"^^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.p116.s1177.d5129#sample> ;
    dct:title "39d[39d-H.jdx]" ;
    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-d5129" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p116.s1177.d5129" ] ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p116.s1177.d5129#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.p116.s1177.d5129#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.p116.s1177.d5129#sample> .

<https://doi.org/10.57992/nmrxiv.p116.s1177.d5129#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1=CC=C(C2CC(C3=CC=C(C4=CN=CC=C4)C=C3)C3=CC=CC=C3O2)C=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C26H21NO/c1-2-7-21(8-3-1)26-17-24(23-10-4-5-11-25(23)28-26)20-14-12-19(13-15-20)22-9-6-16-27-18-22/h1-16,18,24,26H,17H2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "RYYGVEVUDWDSGJ-UHFFFAOYSA-N" ] .

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    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p116.s1177.d5129#sample_compound> ;
    dct:title "evaluated sample" .