@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/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593> 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 nuclear magnetic resonance spectroscopy (1H NMR)

""" ;
    dct:identifier "https://doi.org/10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593" ;
    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/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593#sample> ;
    dct:title "1H nuclear magnetic resonance spectroscopy (1H NMR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593#measurement> .

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

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/171365150> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "FC(C(c1nnc(o1)c1c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "XDXOSEBPTLONMM-UHFFFAOYSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-[2,3,4,5,6-pentakis(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole" ],
        [ 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 "1901.2056480000006"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C115H120F15N7O/c1-99(2,3)61-31-41-81-71(51-61)72-52-62(100(4,5)6)32-42-82(72)133(81)92-91(97-131-132-98(138-97)109(116,117)110(118,119)111(120,121)112(122,123)113(124,125)114(126,127)115(128,129)130)93(134-83-43-33-63(101(7,8)9)53-73(83)74-54-64(102(10,11)12)34-44-84(74)134)95(136-87-47-37-67(105(19,20)21)57-77(87)78-58-68(106(22,23)24)38-48-88(78)136)96(137-89-49-39-69(107(25,26)27)59-79(89)80-60-70(108(28,29)30)40-50-90(80)137)94(92)135-85-45-35-65(103(13,14)15)55-75(85)76-56-66(104(16,17)18)36-46-86(76)135/h31-60H,1-30H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C115H120F15N7O" ] .

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

<https://doi.org/10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/171365150> ;
    dct:title "evaluated sample" .