@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 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/10.57992/nmrxiv.p165.s1733.d7689> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Iq Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 297.9995 Observed Frequency: 125.770361 Magnetic Field Strength: 11.745735907794952 Number of Scans: 128 NMR Pulse Sequence: zgdc30 Spectral Width: 271.025609169337 Number of Data Points: 170450 Relaxation Delay: 1.2 Observed Frequency: 125.784826 Nucleus: 19F NMR Solvent: CDCl3 NMR Probe: Z104275_0291 (PA BBO 300S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0022 Observed Frequency: 282.404355 Magnetic Field Strength: 7.047908290811697 Number of Scans: 128 NMR Pulse Sequence: zgfhigqn Spectral Width: 237.145715453412 Number of Data Points: 267850 Relaxation Delay: 1 Observed Frequency: 282.37611456 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0006 Observed Frequency: 500.18 Magnetic Field Strength: 11.747525129864373 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 22.2140918006466 Number of Data Points: 88234 Relaxation Delay: 0.5 Observed Frequency: 500.18300144" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p165.s1733.d7689" ;
    dct:issued "2026-03-21"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2026-03-21"^^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 "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#sample> ;
    dct:title "Iq[Iq-13C]" ;
    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/nmrxiv-d7689" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p165.s1733.d7689" ] ;
    dcat:landingPage <https://nmrxiv.org/D7689> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#measurement> .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#measurement> a chmo:0000595,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#sample> .

<https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "FC1=CC=C(CNC2(C#CC3CCCCC3)CCCCC2)C=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C21H28FN/c22-20-11-9-19(10-12-20)17-23-21(14-5-2-6-15-21)16-13-18-7-3-1-4-8-18/h9-12,18,23H,1-8,14-15,17H2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QRIGAYNYQQVRDK-UHFFFAOYSA-N" ] .

<https://nmrxiv.org/D7689> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p165.s1733.d7689#sample_compound> ;
    dct:title "evaluated sample" .