@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/CTFNDTHOKWBWIW-UOUCAVKCSA-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/CTFNDTHOKWBWIW-UOUCAVKCSA-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/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#sample> ;
    dct:title "1H--13C heteronuclear single quantum coherence (1H-13C HSQC)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/CTFNDTHOKWBWIW-UOUCAVKCSA-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/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#measurement> a chmo:0001146,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#sample> .

<https://doi.org/10.14272/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCc1c2-c3ccc4c(n3)c3nc(-c5sc(c(c5CCCC)CCCC)C#CC#Cc5sc(-c6nc7c8nc(-c9sc(C#CC#Cc(c1CCCC)s2)c(CCCC)c9CCCC)ccc8ccc7cc6)c(c5CCCC)CCCC)ccc3cc4" ],
        [ 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 "1229.8097600000012"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CTFNDTHOKWBWIW-UOUCAVKCSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C80H84N4S4" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C80H84N4S4/c1-9-17-29-57-61(33-21-13-5)77-65-49-45-53-41-42-54-46-50-66(82-74(54)73(53)81-65)79-63(35-23-15-7)59(31-19-11-3)71(87-79)39-27-28-40-72-60(32-20-12-4)64(36-24-16-8)80(88-72)68-52-48-56-44-43-55-47-51-67(83-75(55)76(56)84-68)78-62(34-22-14-6)58(30-18-10-2)70(86-78)38-26-25-37-69(57)85-77/h41-52H,9-24,29-36H2,1-8H3/b77-65-,78-67-,79-66-,80-68-" ] .

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

<https://doi.org/10.14272/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.14272/CTFNDTHOKWBWIW-UOUCAVKCSA-N/CHMO0001146#sample_compound> ;
    dct:title "evaluated sample" .