@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.s1576.d7010> 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 26 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 297.2579 Observed Frequency: 100.622826534 Magnetic Field Strength: 9.397199287391937 Number of Scans: 195 NMR Pulse Sequence: zgpg30 Spectral Width: 238.872816045487 Number of Data Points: 32768 Relaxation Delay: 3 Observed Frequency: 100.632888817 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 296.8082 Observed Frequency: 400.17 Magnetic Field Strength: 9.398630755363722 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0234176324172 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.172471049 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: cosy Temperature: 296.6978 Observed Frequency: 400.17,400.17 Magnetic Field Strength: 9.398630755363722 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 8.3969371327278,8.4025654264725 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 400.171515,400.17240102 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: hmbc Temperature: 296.6346 Observed Frequency: 400.17,100.622826534 Magnetic Field Strength: 9.398630755363722 Number of Scans: 4 NMR Pulse Sequence: hmbcgplpndqf Spectral Width: 8.3969371327278,219.847547510455 Number of Data Points: 2048,128 Relaxation Delay: 1.5 Observed Frequency: 400.171515,100.632888817 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: hsqc Temperature: 297.1605 Observed Frequency: 400.17,100.622826534 Magnetic Field Strength: 9.398630755363722 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 8.3969371327278,165.072384661193 Number of Data Points: 1024,256 Relaxation Delay: 1.5 Observed Frequency: 400.171515,100.630373246" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p156.s1576.d7010" ;
    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.s1576.d7010#sample> ;
    dct:title "Compound 26[HSQC]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#measurement> .

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

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#sample> .

<https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "HCONCNBKBHNCHN-PWSUYJOCSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCC[C@H]1OC(=O)CCCCCC(=O)[C@@H]1O" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h10,12,15H,2-8H2,1H3/t10-,12+/m1/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p156.s1576.d7010#sample_compound> ;
    dct:title "evaluated sample" .