@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 ns1: <http://qudt.org/schema/qudt/> .
@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/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description """dataset for distortionless enhancement with polarization transfer (DEPT)

""" ;
    dct:identifier "https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> ;
    dct:subject <https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596#sample> ;
    dct:title "distortionless enhancement with polarization transfer (DEPT)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596#measurement> .

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

chmo:0000596 a schema1:DefinedTerm ;
    schema1:name "distortionless enhancement with polarization transfer" .

<https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596#measurement> a chmo:0000596,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/177693360> a chebi:23367 ;
    sio:000008 [ 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 "1236.8056200000015"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "LRFGDPUZSYQNSA-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCc1cc(sc1c1cc(c(s1)C=C(C#N)C#N)CCCCCC)c1cc2c(-c3c(C42c2ccccc2N(c2c4cccc2)c2ccccc2)cc(s3)c2cc(c(s2)c2cc(c(s2)C=C(C#N)C#N)CCCCCC)CCCCCC)s1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C75H73N5S6/c1-5-9-13-18-28-52-40-69(81-63(52)38-50(46-76)47-77)71-54(30-20-15-11-7-3)42-65(83-71)67-44-59-73(85-67)74-60(75(59)57-34-24-26-36-61(57)80(56-32-22-17-23-33-56)62-37-27-25-35-58(62)75)45-68(86-74)66-43-55(31-21-16-12-8-4)72(84-66)70-41-53(29-19-14-10-6-2)64(82-70)39-51(48-78)49-79/h17,22-27,32-45H,5-16,18-21,28-31H2,1-4H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C75H73N5S6" ] .

<https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> a foaf:Organization ;
    foaf:name "Chemotion - Repository " .

<https://doi.org/10.14272/LRFGDPUZSYQNSA-UHFFFAOYSA-N/CHMO0000596#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/177693360> ;
    dct:title "evaluated sample" .