@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/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292> 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 ultraviolet-visible spectrophotometry (UV-VIS)

""" ;
    dct:identifier "https://doi.org/10.14272/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292" ;
    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/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292#sample> ;
    dct:title "ultraviolet-visible spectrophotometry (UV-VIS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292#measurement> .

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

chmo:0000292 a schema1:DefinedTerm ;
    schema1:name "ultraviolet-visible spectrophotometry" .

<https://doi.org/10.14272/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292#measurement> a chmo:0000292,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172677568> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C82H38F24N12O4.Pd/c1-121-73(119)33-7-3-31(4-8-33)63-107-55-27-51-52(28-56(55)108-63)66-111-65(51)113-69-59-47(35-15-39(75(83,84)85)23-40(16-35)76(86,87)88)11-13-49(37-19-43(79(95,96)97)25-44(20-37)80(98,99)100)61(59)71(117-69)115-67-53-29-57-58(110-64(109-57)32-5-9-34(10-6-32)74(120)122-2)30-54(53)68(112-67)116-72-62-50(38-21-45(81(101,102)103)26-46(22-38)82(104,105)106)14-12-48(60(62)70(114-66)118-72)36-17-41(77(89,90)91)24-42(18-36)78(92,93)94;/h3-30H,1-2H3,(H4,107,108,109,110,111,112,113,114,115,116,117,118,119,120);/q;+2/p-2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COC(=O)c1ccc(cc1)c1[nH]c2c(n1)cc1c(c2)/C/2=N/c3n4[Pd]n5/c(=N\\C1=N2)/c1c(ccc(c1/c/5=N/C1=N/C(=N\\c4c2c3c(ccc2c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)/c2c1cc1c(c2)nc([nH]1)c1ccc(cc1)C(=O)OC)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ONHKHDYEVJHLSS-UHFFFAOYSA-L" ],
        [ 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 "1815.622916800001"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C82H36F24N12O4Pd" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "methyl 4-[5,8,26,29-tetrakis[3,5-bis(trifluoromethyl)phenyl]-38-(4-methoxycarbonylphenyl)-2,11,16,18,23,32,37,39,43,45-decaza-44,46-diazanidaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1(43),2,4,6,8,10,12(45),13,15(19),16,20,22,24,26,28,30,32,34,36(40),37,41-henicosaen-17-yl]benzoate;palladium(2+)" ] .

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

<https://doi.org/10.14272/ONHKHDYEVJHLSS-UHFFFAOYSA-L/CHMO0000292#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172677568> ;
    dct:title "evaluated sample" .