@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/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1> 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 distortionless enhancement with polarization transfer (DEPT)

""" ;
    dct:identifier "https://doi.org/10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1" ;
    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/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1#sample> ;
    dct:title "distortionless enhancement with polarization transfer (DEPT)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1#measurement> .

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

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

<https://doi.org/10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1#measurement> a chmo:0000596,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/176528090> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "c1csc(c1)c1c(c2cccs2)c(sc1c1cccs1)c1ccc(s1)c1c(sc(c1c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1sc(c(c1c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "JQLPOOSDULDAPH-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C128H66S32/c1-19-67(129-49-1)97-103(73-25-7-55-135-73)119(153-113(97)83-31-13-61-141-83)89-41-37-79(147-89)109-111(81-39-43-91(149-81)121-105(75-27-9-57-137-75)99(69-21-3-51-131-69)115(155-121)85-33-15-63-143-85)127(159-125(109)95-47-45-93(151-95)123-107(77-29-11-59-139-77)101(71-23-5-53-133-71)117(157-123)87-35-17-65-145-87)128-112(82-40-44-92(150-82)122-106(76-28-10-58-138-76)100(70-22-4-52-132-70)116(156-122)86-34-16-64-144-86)110(80-38-42-90(148-80)120-104(74-26-8-56-136-74)98(68-20-2-50-130-68)114(154-120)84-32-14-62-142-84)126(160-128)96-48-46-94(152-96)124-108(78-30-12-60-140-78)102(72-24-6-54-134-72)118(158-124)88-36-18-66-146-88/h1-66H" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2,3,4-trithiophen-2-yl-5-[5-[2-[3,4,5-tris[5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-bis[5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophene" ],
        [ 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 "2629.9736399999983"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C128H66S32" ] .

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

<https://doi.org/10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0000596.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/176528090> ;
    dct:title "evaluated sample" .

