@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/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1> 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/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1" ;
    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/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1#sample> ;
    dct:title "distortionless enhancement with polarization transfer (DEPT)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1#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/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1#measurement> a chmo:0000596,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/177693381> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C50H70Br4N2S5Si2/c1-15-17-19-21-23-55-33-25-35(62(27(3)4,28(5)6)29(7)8)57-43(33)49-41(55)39(53)47(60-49)45-37(51)38(52)46(59-45)48-40(54)42-50(61-48)44-34(56(42)24-22-20-18-16-2)26-36(58-44)63(30(9)10,31(11)12)32(13)14/h25-32H,15-24H2,1-14H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCn1c2c(Br)c(sc2c2c1cc(s2)[Si](C(C)C)(C(C)C)C(C)C)c1sc(c(c1Br)Br)c1sc2c(c1Br)n(c1c2sc(c1)[Si](C(C)C)(C(C)C)C(C)C)CCCCCC" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "IXNGYVJZOWPTAB-UHFFFAOYSA-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 "1235.2162000000005"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C50H70Br4N2S5Si2" ] .

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

<https://doi.org/10.14272/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000596.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/177693381> ;
    dct:title "evaluated sample" .