@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Lukas Langer" ] ;
    dct:description "dataset for ultraviolet-visible spectrophotometry (UV-VIS)" ;
    dct:identifier "https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292" ;
    dct:issued "2025-03-08"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "Chemotion - Repository " ] ;
    dct:subject <https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292#sample> ;
    dct:title "ultraviolet-visible spectrophotometry (UV-VIS)" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/10-14272-lzlbfgnmdbpdeg-uhfffaoysa-l-chmo0000292" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292#measurement> .

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

<https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292#measurement> a chmo:0000292,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172677566> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C80H34F24N12O4.Zn/c81-73(82,83)37-13-33(14-38(21-37)74(84,85)86)45-9-11-47(35-17-41(77(93,94)95)23-42(18-35)78(96,97)98)59-57(45)67-111-63-49-25-53-54(106-61(105-53)29-1-5-31(6-2-29)71(117)118)26-50(49)64(109-63)112-68-58-46(34-15-39(75(87,88)89)22-40(16-34)76(90,91)92)10-12-48(36-19-43(79(99,100)101)24-44(20-36)80(102,103)104)60(58)70(116-68)114-66-52-28-56-55(27-51(52)65(110-66)113-69(59)115-67)107-62(108-56)30-3-7-32(8-4-30)72(119)120;/h1-28H,(H6,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120);/q;+2/p-2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "LZLBFGNMDBPDEG-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 "1746.5297568000008"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C80H32F24N12O4Zn" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "zinc;4-[5,8,26,29-tetrakis[3,5-bis(trifluoromethyl)phenyl]-38-(4-carboxyphenyl)-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]benzoic acid" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "OC(=O)c1ccc(cc1)c1nc2c([nH]1)cc1c(c2)C2=N/C/1=N\\c1c3c(ccc(c3c3n1[Zn]n1/c(=N\\2)/c2c(ccc(c2/c/1=N/C1=N/C(=N\\3)/c2c1cc1c(c2)nc([nH]1)c1ccc(cc1)C(=O)O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" ] .

<https://www.chemotion-repository.net/inchikey/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292> a foaf:Document .

<https://doi.org/10.14272/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000292#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172677566> ;
    dct:title "evaluated sample" .