@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#> .

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    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 -5d date: 2023/01/10 10:06:04.000 isFt: true name: 5d-C type: NMR SPECTRUM isFid: false lastX: -525.3545414383959 title: LJC-113-17-A.2.fid firstX: 30724.645458561605 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: 2023/01/10 10:04:20.000 isFt: true name: 5d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-113-17-A.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.s1198.d5177" ;
    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 "2026-01-03"^^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.p116.s1198.d5177#sample> ;
    dct:title "5d[5d-C.jdx]" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p116.s1198.d5177" ],
        [ 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-d5177" ] ;
    dcat:landingPage <https://nmrxiv.org/D5177> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p116.s1198.d5177#measurement> .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C 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.s1198.d5177#measurement> a chmo:0000595,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p116.s1198.d5177#sample> .

<https://doi.org/10.57992/nmrxiv.p116.s1198.d5177#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "LCCGLOMYKGUPDQ-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1=CC=C(C2=CC=C(C3CC(C4=CC=CC=C4)OC4=CC=CC=C43)C=C2)C=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C27H22O/c1-3-9-20(10-4-1)21-15-17-22(18-16-21)25-19-27(23-11-5-2-6-12-23)28-26-14-8-7-13-24(25)26/h1-18,25,27H,19H2" ] .

<https://nmrxiv.org/D5177> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p116.s1198.d5177#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p116.s1198.d5177#sample_compound> ;
    dct:title "evaluated sample" .

