@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/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150> 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--1H correlation spectroscopy (1H-1H COSY)

""" ;
    dct:identifier "https://doi.org/10.14272/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150" ;
    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/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150#sample> ;
    dct:title "1H--1H correlation spectroscopy (1H-1H COSY)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150#measurement> .

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

chmo:0001150 a schema1:DefinedTerm ;
    schema1:name "1H–1H correlation spectroscopy" .

<https://doi.org/10.14272/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150#measurement> a chmo:0001150,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/177693369> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "LTEOUFVIFFOKHL-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C76H86I2N2S8/c1-9-17-25-49-39-59(81-69(49)61-41-51(27-19-11-3)73(83-61)75-53(29-21-13-5)43-63(85-75)71-55(31-23-15-7)45-65(77)87-71)57-37-35-47-33-34-48-36-38-58(80-68(48)67(47)79-57)60-40-50(26-18-10-2)70(82-60)62-42-52(28-20-12-4)74(84-62)76-54(30-22-14-6)44-64(86-76)72-56(32-24-16-8)46-66(78)88-72/h33-46H,9-32H2,1-8H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C76H86I2N2S8" ],
        [ 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 "1537.8383800000017"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCc1cc(sc1c1cc(c(s1)c1sc(cc1CCCC)c1sc(cc1CCCC)I)CCCC)c1ccc2c(n1)c1nc(ccc1cc2)c1cc(c(s1)c1cc(c(s1)c1sc(cc1CCCC)c1sc(cc1CCCC)I)CCCC)CCCC" ] .

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

<https://doi.org/10.14272/LTEOUFVIFFOKHL-UHFFFAOYSA-N/CHMO0001150#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/177693369> ;
    dct:title "evaluated sample" .