@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/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1> 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 "Peter Bäuerle" ] ;
    dct:description "dataset for distortionless enhancement with polarization transfer (DEPT)" ;
    dct:identifier "https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1" ;
    dct:issued "2025-08-30"^^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/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#sample> ;
    dct:title "distortionless enhancement with polarization transfer (DEPT)" ;
    adms:identifier [ 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-nhfxaxkpnwkgcy-uhfffaoysa-n-chmo0000596-1" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#measurement> .

chmo:0000596 a schema1:DefinedTerm ;
    schema1:name "distortionless enhancement with polarization transfer" .

<https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#measurement> a chmo:0000596,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#sample> .

<https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#sample_compound> 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 "1937.0789400000015"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C73H36Br8S12" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "Brc1ccc(s1)c1sc(cc1c1ccc(s1)Br)c1ccc(cc1)C(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "NHFXAXKPNWKGCY-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C73H36Br8S12/c74-61-25-17-49(82-61)45-33-57(90-69(45)53-21-29-65(78)86-53)37-1-9-41(10-2-37)73(42-11-3-38(4-12-42)58-34-46(50-18-26-62(75)83-50)70(91-58)54-22-30-66(79)87-54,43-13-5-39(6-14-43)59-35-47(51-19-27-63(76)84-51)71(92-59)55-23-31-67(80)88-55)44-15-7-40(8-16-44)60-36-48(52-20-28-64(77)85-52)72(93-60)56-24-32-68(81)89-56/h1-36H" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2,3-bis(5-bromothiophen-2-yl)-5-[4-[tris[4-[4,5-bis(5-bromothiophen-2-yl)thiophen-2-yl]phenyl]methyl]phenyl]thiophene" ] .

<https://www.chemotion-repository.net/inchikey/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1> a foaf:Document .

<https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0000596.1#sample_compound> ;
    dct:title "evaluated sample" .