@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.p149.s1493.d6560> 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 -2,5-di Boc-cysteamine NADA CDCl3 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0254428533683 Number of Data Points: 32768 Relaxation Delay: 0.1 Observed Frequency: 400.13200065 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 1600 NMR Pulse Sequence: zgpg Spectral Width: 200.36497008264 Number of Data Points: 65536 Relaxation Delay: 0.3715336 Observed Frequency: 100.62283" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p149.s1493.d6560" ;
    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.p149.s1493.d6560#sample> ;
    dct:title "2,5-di Boc-cysteamine NADA CDCl3[2]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p149.s1493.d6560#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.p149.s1493.d6560#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p149.s1493.d6560#sample> .

<https://doi.org/10.57992/nmrxiv.p149.s1493.d6560#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C24H39N3O7S2/c1-15(28)25-9-8-16-14-17(35-12-10-26-21(31)33-23(2,3)4)18(29)19(30)20(16)36-13-11-27-22(32)34-24(5,6)7/h14,29-30H,8-13H2,1-7H3,(H,25,28)(H,26,31)(H,27,32)" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(=O)NCCC1=CC(SCCNC(=O)OC(C)(C)C)=C(O)C(O)=C1SCCNC(=O)OC(C)(C)C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "YXUFEAUMZVLMER-UHFFFAOYSA-N" ] .

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

<https://doi.org/10.57992/nmrxiv.p149.s1493.d6560#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p149.s1493.d6560#sample_compound> ;
    dct:title "evaluated sample" .