@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.s1582.d7042> 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 35 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.0918 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 256 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: 298.1126 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: 298.0786 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: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hmbc Temperature: 298.0912 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 17.5011836149094,240.048385639511 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 400.133000975,100.623835930538 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hsqc Temperature: 298.1223 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 17.5011836149094,178.10557964561 Number of Data Points: 1024,256 Relaxation Delay: 1.451667 Observed Frequency: 400.133000975,100.620918160251" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p156.s1582.d7042" ;
    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.s1582.d7042#sample> ;
    dct:title "Compound 35[HMBC]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p156.s1582.d7042#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.s1582.d7042#measurement> a chmo:0000601,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p156.s1582.d7042#sample> .

<https://doi.org/10.57992/nmrxiv.p156.s1582.d7042#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h9-11,14-15H,2-7H2,1H3/t9-,10+,11-/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QFERWHKGXVNSHR-AXFHLTTASA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCC[C@H]1OC(=O)[C@@H](O)CCCCC(=O)[C@@H]1O" ] .

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

<https://doi.org/10.57992/nmrxiv.p156.s1582.d7042#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p156.s1582.d7042#sample_compound> ;
    dct:title "evaluated sample" .