@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/RVBYFQZWFRUDCA-WAFKZFKJSA-L/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/RVBYFQZWFRUDCA-WAFKZFKJSA-L/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/RVBYFQZWFRUDCA-WAFKZFKJSA-L/CHMO0000593#sample> ;
    dct:title "1H nuclear magnetic resonance spectroscopy (1H NMR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/RVBYFQZWFRUDCA-WAFKZFKJSA-L/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/RVBYFQZWFRUDCA-WAFKZFKJSA-L/CHMO0000593#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/RVBYFQZWFRUDCA-WAFKZFKJSA-L/CHMO0000593#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/146155941> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C38H68F6N12O7S2Zn" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "zinc;N-[(1R,2R)-2-[(1,3-dimethylimidazolidin-2-ylidene)amino]cyclohexyl]-1,3-dimethylimidazolidin-2-imine;oxolane;trifluoromethanesulfonate" ],
        [ 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 "1048.5231392000005"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1CCCO1.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.[Zn+2]" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "RVBYFQZWFRUDCA-WAFKZFKJSA-L" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/2C16H30N6.C4H8O.2CHF3O3S.Zn/c2*1-19-9-10-20(2)15(19)17-13-7-5-6-8-14(13)18-16-21(3)11-12-22(16)4;1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*13-14H,5-12H2,1-4H3;1-4H2;2*(H,5,6,7);/q;;;;;+2/p-2/t2*13-,14-;;;;/m11..../s1" ] .

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

<https://doi.org/10.14272/RVBYFQZWFRUDCA-WAFKZFKJSA-L/CHMO0000593#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/146155941> ;
    dct:title "evaluated sample" .