@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 dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix ns1: <http://qudt.org/schema/qudt/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p42.s1305.d5719> 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 -Abietic acid Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 700.15 Magnetic Field Strength: 16.444139549111398 Number of Scans: 1 NMR Pulse Sequence: zg Spectral Width: 14.0576456906029 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 700.1542009 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: aptjmod Temperature: 298 Observed Frequency: 176.052858 Magnetic Field Strength: 16.441635051683804 Number of Scans: 512 NMR Pulse Sequence: aptsp.ber Spectral Width: 240.655048240644 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 176.07310407867 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: cosy Temperature: 298 Observed Frequency: 700.15,700.15 Magnetic Field Strength: 16.444139549111398 Number of Scans: 8 NMR Pulse Sequence: cosygpmfph Spectral Width: 7.97019978511628,7.99921479413518 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 700.152730585,700.152730585 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: noesy Temperature: 298 Observed Frequency: 700.15,700.15 Magnetic Field Strength: 16.444139549111398 Number of Scans: 8 NMR Pulse Sequence: noesygpph Spectral Width: 7.97019978511628,7.99921479413518 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 700.152730585,700.152730585 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: hsqc Temperature: 298 Observed Frequency: 700.15,176.052858 Magnetic Field Strength: 16.444139549111398 Number of Scans: 4 NMR Pulse Sequence: hsqcedetgpsp Spectral Width: 7.97020137915034,159.990523460763 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 700.152590555,176.066766175782 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 NMR Pulse Sequence: hmbc Temperature: 298 Observed Frequency: 700.15,176.052858 Magnetic Field Strength: 16.444139549111398 Number of Scans: 8 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 7.97020137915033,199.984554888321 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 700.152590555,176.069935127226" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s1305.d5719" ;
    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.p42.s1305.d5719#sample> ;
    dct:title "Abietic acid[2]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s1305.d5719#measurement> .

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

obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://doi.org/10.57992/nmrxiv.p42.s1305.d5719#measurement> a obi:0000070,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p42.s1305.d5719#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/10569> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "RSWGJHLUYNHPMX-ONCXSQPRSA-N" ],
        [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "302.5"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C20H30O2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p42.s1305.d5719#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/10569> ;
    dct:title "evaluated sample" .