@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/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146> 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 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

""" ;
    dct:identifier "https://doi.org/10.14272/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146" ;
    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/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146#sample> ;
    dct:title "1H--13C heteronuclear single quantum coherence (1H-13C HSQC)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146#measurement> .

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

chmo:0001146 a schema1:DefinedTerm ;
    schema1:name "1H–13C heteronuclear single quantum coherence" .

<https://doi.org/10.14272/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146#measurement> a chmo:0001146,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/176528077> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C75H104N6S5/c1-7-13-19-25-29-33-39-56(40-34-30-26-20-14-8-2)55-80-62-49-68(66-47-59(41-35-23-17-11-5)64(82-66)45-57(51-76)52-77)84-72(62)74-70(80)71-75(86-74)73-63(81(71)61(43-37-31-27-21-15-9-3)44-38-32-28-22-16-10-4)50-69(85-73)67-48-60(42-36-24-18-12-6)65(83-67)46-58(53-78)54-79/h45-50,56,61H,7-44,55H2,1-6H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C75H104N6S5" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "KUOCHNVVGBIYKU-UHFFFAOYSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[[5-[14-[5-(2,2-dicyanoethenyl)-4-hexylthiophen-2-yl]-17-heptadecan-9-yl-3-(2-octyldecyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-3-hexylthiophen-2-yl]methylidene]propanedinitrile" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCC(Cn1c2cc(sc2c2c1c1c(s2)c2c(n1C(CCCCCCCC)CCCCCCCC)cc(s2)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)CCCCCCCC" ],
        [ 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 "1249.9934600000017"^^xsd:float ] .

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

<https://doi.org/10.14272/KUOCHNVVGBIYKU-UHFFFAOYSA-N/CHMO0001146#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/176528077> ;
    dct:title "evaluated sample" .