@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.p165.s1745.d7717> 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 -2b Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0015 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 64 NMR Pulse Sequence: zgdc30 Spectral Width: 272.2903092869 Number of Data Points: 171232 Relaxation Delay: 1.2 Observed Frequency: 125.772288526 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0004 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 21.7333493299568 Number of Data Points: 86956 Relaxation Delay: 0.5 Observed Frequency: 500.13300078" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p165.s1745.d7717" ;
    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.p165.s1745.d7717#sample> ;
    dct:title "2b[2b-1H]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#measurement> .

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

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

<https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#sample> .

<https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "JUTLYHZQMHMLRZ-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C23H29NO2/c1-2-26-22(25)21-17-24(16-18-9-5-3-6-10-18)23(13-7-4-8-14-23)15-20(21)19-11-12-19/h3,5-6,9-10,15,17,19H,2,4,7-8,11-14,16H2,1H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCOC(=O)C1=CN(CC2=CC=CC=C2)C2(C=C1C1CC1)CCCCC2" ] .

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

<https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p165.s1745.d7717#sample_compound> ;
    dct:title "evaluated sample" .