@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@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_> .

<https://doi.org/10.57992/nmrxiv.p123.s1255.d5395> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -PB-1999B-lc1 date: 2024-02-16T10:38:04.000Z isFt: true name: PB-1999B-lc1/1 phc0: -213.8837 phc1: -15.4803 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.2574283905065143 isComplex: true probeName: Z847801_0325 (PA BBO 600S3 BB-H-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9929 spectrumSize: 65536 baseFrequency: 600.58 fieldStrength: 14.105579308752667 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 19.8219860690016 numberOfPoints: 78 relaxationTime: 1 acquisitionTime: 0.0032340000000000016 frequencyOffset: 3708.580999955302 originFrequency: 600.583708581 pulseStrength90: 16666.666666666668 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-02-16T11:20:46.000Z isFt: true name: PB-1999B-lc1/2 phc0: -116.1058 phc1: 116.7559 type: NMR Spectrum DECIM: 440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 100.32052267557333 isComplex: true probeName: Z847801_0325 (PA BBO 600S3 BB-H-D-05 Z) experiment: 1d groupDelay: 68 temperature: 297.9993 spectrumSize: 32768 baseFrequency: 151.015961116 fieldStrength: 14.10257456483191 numberOfScans: 731 pulseSequence: zgpg30 spectralWidth: 300.96156802672 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00003300000000000004 frequencyOffset: 15101.595999993833 originFrequency: 151.031062712 pulseStrength90: 20833.333333333332 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p123.s1255.d5395" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#sample> ;
    dct:title "PB-1999B-lc1[2]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#sample> .

<https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H]1C2=C(C3=C4C1=CC=CC4=CC=C3)C1=CC(OC)=CC=C1[N+](CC1=CC=CC=C1)=C2.[Br-]" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C37H35N2O.BrH/c1-3-25-22-38-18-17-27(25)19-34(38)37-30-14-8-12-26-11-7-13-29(35(26)30)36-31-20-28(40-2)15-16-33(31)39(23-32(36)37)21-24-9-5-4-6-10-24;/h3-16,20,23,25,27,34,37H,1,17-19,21-22H2,2H3;1H/q+1;/p-1/t25-,27-,34+,37+;/m0./s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QEHSXVIBJKPQHF-AZNNMDDBSA-M" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p123.s1255.d5395#sample_compound> ;
    dct:title "evaluated sample" .