@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/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630> 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 infrared absorption spectroscopy (IR)

""" ;
    dct:identifier "https://doi.org/10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630" ;
    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/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630#sample> ;
    dct:title "infrared absorption spectroscopy (IR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630#measurement> .

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

chmo:0000630 a schema1:DefinedTerm ;
    schema1:name "infrared absorption spectroscopy" .

<https://doi.org/10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630#measurement> a chmo:0000630,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/145721702> a chebi:23367 ;
    sio:000008 [ 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 "1197.3405400000006"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C79H56N8O5" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C79H56N8O5/c1-79(2,3)92-77(88)61(81-78(89)90-46-60-49-26-6-4-24-47(49)48-25-5-7-27-50(48)60)44-70-82-83-76(91-70)71-72(84-62-36-16-8-28-51(62)52-29-9-17-37-63(52)84)59(45-80)73(85-64-38-18-10-30-53(64)54-31-11-19-39-65(54)85)75(87-68-42-22-14-34-57(68)58-35-15-23-43-69(58)87)74(71)86-66-40-20-12-32-55(66)56-33-13-21-41-67(56)86/h4-43,60-61H,44,46H2,1-3H3,(H,81,89)" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CNOUBQRDWLQFIY-WMNDHARXSA-N" ] .

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

<https://doi.org/10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000630#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/145721702> ;
    dct:title "evaluated sample" .