@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.p158.s1612.d7203> 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 -Triplinone L Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: 1d Temperature: 297.9928 Observed Frequency: 600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 8 NMR Pulse Sequence: zg Spectral Width: 12.0145670747294 Number of Data Points: 76920 Relaxation Delay: 30 Observed Frequency: 600.232902 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: cosy Temperature: 297.9941 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 16 NMR Pulse Sequence: cosygpqf Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.23360138,600.23360138 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hsqc Temperature: 298.0407 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: hsqcedetgpsisp2.4 Spectral Width: 12.0145650900929,199.553643664195 Number of Data Points: 2048,256 Relaxation Delay: 5 Observed Frequency: 600.23300115,150.939273143 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hmbc Temperature: 297.9921 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 12.0145530755999,250.947551390514 Number of Data Points: 2048,512 Relaxation Delay: 5 Observed Frequency: 600.23360138,150.943046341355 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: noesy Temperature: 298.0067 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 24 NMR Pulse Sequence: noesyph Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 3604,256 Relaxation Delay: 3 Observed Frequency: 600.23360138,600.23360138" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p158.s1612.d7203" ;
    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.p158.s1612.d7203#sample> ;
    dct:title "Triplinone L[101]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#measurement> .

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

chmo:0000599 a schema1:DefinedTerm ;
    schema1:name "correlation spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#measurement> a chmo:0000599,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#sample> .

<https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C1C=CC[C@H](/C=C/C[C@H](O)C[C@H](O)/C=C/C=C/C2=CC=CC=C2)O1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "SFAHVCWPDWRFQP-ZVLSWGKWSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C21H24O4/c22-18(11-5-4-10-17-8-2-1-3-9-17)16-19(23)12-6-13-20-14-7-15-21(24)25-20/h1-11,13,15,18-20,22-23H,12,14,16H2/b10-4+,11-5+,13-6+/t18-,19+,20+/m1/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p158.s1612.d7203#sample_compound> ;
    dct:title "evaluated sample" .