@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.p156.s1597.d7133> 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 8 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z168771_0019 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.1008 Observed Frequency: 125.7251 Magnetic Field Strength: 11.74150896792855 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 272.363910057404 Number of Data Points: 65400 Relaxation Delay: 2 Observed Frequency: 125.73830114 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z168771_0019 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0976 Observed Frequency: 500 Magnetic Field Strength: 11.743297542748984 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 31.2497656267578 Number of Data Points: 65384 Relaxation Delay: 1 Observed Frequency: 500.00375 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0725 NMR Pulse Sequence: cosy Temperature: 298.0928 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 17.5011836149094,17.5011836149094 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 400.133000975,400.133000975 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z168771_0019 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmbc Temperature: 298.0986 Observed Frequency: 500,125.7251 Magnetic Field Strength: 11.743297542748984 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 18.1816818192045,239.999589989193 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 500.00375,125.73892976 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z168771_0019 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hsqc Temperature: 298.1003 Observed Frequency: 500,125.7251 Magnetic Field Strength: 11.743297542748984 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 18.1816818192045,177.97408741428 Number of Data Points: 1024,256 Relaxation Delay: 1.5 Observed Frequency: 500.00375,125.73528373 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0725 NMR Pulse Sequence: noesy Temperature: 298.1069 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 17.5011836149094,17.5011836149094 Number of Data Points: 2048,128 Relaxation Delay: 2.5 Observed Frequency: 400.133000975,400.133000975" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p156.s1597.d7133" ;
    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.p156.s1597.d7133#sample> ;
    dct:title "Compound 8[HMBC]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#measurement> .

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

chmo:0000601 a schema1:DefinedTerm ;
    schema1:name "heteronuclear multiple bond coherence" .

<https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#measurement> a chmo:0000601,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#sample> .

<https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C18H24O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12,14-15,17,21H,4,8-9,11H2,1-2H3/b5-3+,10-7?,12-6+/t14-,15+,17+/m1/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "PETRRQIFXXQOBN-HLDOIOFLSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C/C=C/C=C/C(=O)O[C@H]1CCC=CC(=O)[C@H](O)[C@@H](CCC)OC1=O" ] .

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

<https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p156.s1597.d7133#sample_compound> ;
    dct:title "evaluated sample" .