@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/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150> 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 1H--1H correlation spectroscopy (1H-1H COSY)" ;
    dct:identifier "https://doi.org/10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150" ;
    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/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150#sample> ;
    dct:title "1H--1H correlation spectroscopy (1H-1H COSY)" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150" ],
        [ 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-vllplmljcxubkt-uhfffaoysa-n-chmo0001150" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150#measurement> .

chmo:0001150 a schema1:DefinedTerm ;
    schema1:name "1H–1H correlation spectroscopy" .

<https://doi.org/10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150#measurement> a chmo:0001150,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/176528085> 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 "2304.062119999999"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C[Si](c1ccc(s1)c1sc(cc1c1ccc(s1)c1sc(cc1c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)(C)C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "VLLPLMLJCXUBKT-UHFFFAOYSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "[5-[3-[5-[3-[5-[5-[5-[2,5-bis[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C108H108S21Si8/c1-130(2,3)95-47-39-79(116-95)91-57-63(105(126-91)85-43-51-99(120-85)134(13,14)15)69-27-33-77(111-69)89-55-61(103(124-89)83-37-29-71(113-83)65-59-93(81-41-49-97(118-81)132(7,8)9)128-107(65)87-45-53-101(122-87)136(19,20)21)67-25-31-73(109-67)75-35-36-76(115-75)74-32-26-68(110-74)62-56-90(78-34-28-70(112-78)64-58-92(80-40-48-96(117-80)131(4,5)6)127-106(64)86-44-52-100(121-86)135(16,17)18)125-104(62)84-38-30-72(114-84)66-60-94(82-42-50-98(119-82)133(10,11)12)129-108(66)88-46-54-102(123-88)137(22,23)24/h25-60H,1-24H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C108H108S21Si8" ] .

<https://www.chemotion-repository.net/inchikey/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150> a foaf:Document .

<https://doi.org/10.14272/VLLPLMLJCXUBKT-UHFFFAOYSA-N/CHMO0001150#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/176528085> ;
    dct:title "evaluated sample" .