@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/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075> 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 elemental analysis (EA)

""" ;
    dct:identifier "https://doi.org/10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075" ;
    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/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075#sample> ;
    dct:title "elemental analysis (EA)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075#measurement> .

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

chmo:0001075 a schema1:DefinedTerm ;
    schema1:name "elemental analysis" .

<https://doi.org/10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075#measurement> a chmo:0001075,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/171365138> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C36H28OP2.C12H8N3S.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h1-28H;1-8H;/q;-1;+1/b;14-8+;" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "(E)-N-(1,3-benzothiazol-2-yl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C48H36CuN3OP2S" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "XWYMULSFAJAODR-TXTNVABFSA-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 "828.3774620000003"^^xsd:float ] .

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

<https://doi.org/10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001075#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/171365138> ;
    dct:title "evaluated sample" .