@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.s1585.d7058> 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 25 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.1068 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 512 NMR Pulse Sequence: zgpg30 Spectral Width: 250.960929380182 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.623333340745 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.1072 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 24.9916902020906 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.133000975 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: cosy Temperature: 298.0741 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 11.0778990182607,11.0778990182607 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 400.132200715,400.132200715 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hmbc Temperature: 298.1044 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 11.0778990182607,240.048385639511 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 400.132200715,100.623835930538 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hsqc Temperature: 298.1503 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 11.0778990182607,178.10557964561 Number of Data Points: 1024,256 Relaxation Delay: 1.451667 Observed Frequency: 400.132200715,100.620918160251" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p156.s1585.d7058" ;
    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.s1585.d7058#sample> ;
    dct:title "Compound 25[HSQC]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p156.s1585.d7058#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.s1585.d7058#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p156.s1585.d7058#sample> .

<https://doi.org/10.57992/nmrxiv.p156.s1585.d7058#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C/C=C/C=C/C(=O)O[C@@H](CC/C=C/C(=O)O)C(=O)O[C@H](CCC)C(=O)O" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QSSPZYQRUYKEKI-GPOPRSMLSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C18H24O8/c1-3-5-6-12-16(21)25-14(10-7-8-11-15(19)20)18(24)26-13(9-4-2)17(22)23/h3,5-6,8,11-14H,4,7,9-10H2,1-2H3,(H,19,20)(H,22,23)/b5-3+,11-8+,12-6+/t13-,14+/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.s1585.d7058#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p156.s1585.d7058#sample_compound> ;
    dct:title "evaluated sample" .