@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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    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 -25 date: 2022-06-28T04:53:25.000Z isFt: true name: 25/1 phc0: -1.259059 phc1: 40.87233 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.4998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1492 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 41 relaxationTime: 1 acquisitionTime: 0.0020000000000017525 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-28T06:15:05.000Z isFt: true name: 25/2 phc0: -67.18178 phc1: -43.79139 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1506 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 1024 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p69.s540.d2835" ;
    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 "2025-12-20"^^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.p69.s540.d2835#sample> ;
    dct:title "25[1]" ;
    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-d2835" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p69.s540.d2835" ] ;
    dcat:landingPage <https://nmrxiv.org/D2835> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p69.s540.d2835#measurement> .

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

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    dct:title "Attribution-NonCommercial-ShareAlike 4.0 International" .

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        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p69.s540.d2835#sample> .

<https://doi.org/10.57992/nmrxiv.p69.s540.d2835#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CC(OC(C)=O)C3(C)C(C(C)=O)CCC43)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C37H52O13/c1-18(38)27-11-12-28-26-10-9-24-15-25(13-14-36(24,7)29(26)16-31(37(27,28)8)45-20(3)40)49-35-34(48-23(6)43)33(47-22(5)42)32(46-21(4)41)30(50-35)17-44-19(2)39/h9,25-35H,10-17H2,1-8H3" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "RRBGJDFXUXNMPJ-UHFFFAOYSA-N" ] .

<https://nmrxiv.org/D2835> a foaf:Document .

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    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p69.s540.d2835#sample_compound> ;
    dct:title "evaluated sample" .