@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.p127.s1334.d5891> 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 -Compound 1 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 297.9992 Observed Frequency: 150.80725745 Magnetic Field Strength: 14.083940007030296 Number of Scans: 4096 NMR Pulse Sequence: zgzrse Spectral Width: 227.065670481726 Number of Data Points: 37888 Relaxation Delay: 0.1 Observed Frequency: 150.822338180011 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0013 Observed Frequency: 599.75 Magnetic Field Strength: 14.086085402527406 Number of Scans: 64 NMR Pulse Sequence: zg30 Spectral Width: 19.8494472135723 Number of Data Points: 49152 Relaxation Delay: 2 Observed Frequency: 599.752818135" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p127.s1334.d5891" ;
    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.p127.s1334.d5891#sample> ;
    dct:title "Compound 1[13C]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p127.s1334.d5891#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.p127.s1334.d5891#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p127.s1334.d5891#sample> .

<https://doi.org/10.57992/nmrxiv.p127.s1334.d5891#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CWUSRVMCNVTJOF-HTDMDTRXSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O[Si](C)(C)C(C)(C)C" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C37H55NO6Si/c1-23-13-12-14-29-33(44-45(10,11)35(5,6)7)25(3)24(2)32-30(21-27-15-17-28(42-9)18-16-27)38-34(40)37(29,32)31(43-26(4)39)19-20-36(8,41)22-23/h12,14-20,23-24,29-33,41H,3,13,21-22H2,1-2,4-11H3,(H,38,40)/b14-12+,20-19+/t23-,24+,29-,30-,31+,32-,33+,36-,37+/m0/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p127.s1334.d5891#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p127.s1334.d5891#sample_compound> ;
    dct:title "evaluated sample" .