@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.s1734.d7694> 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 -1i Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.001 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 64 NMR Pulse Sequence: zgdc30 Spectral Width: 272.2903092869 Number of Data Points: 171232 Relaxation Delay: 1.2 Observed Frequency: 125.772288526 Nucleus: 19F NMR Solvent: CDCl3 NMR Probe: Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0002 Observed Frequency: 470.639424 Magnetic Field Strength: 11.745652783550174 Number of Scans: 16 NMR Pulse Sequence: zgfhigqn30 Spectral Width: 295.136305525021 Number of Data Points: 833318 Relaxation Delay: 0.1 Observed Frequency: 470.59235441 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0031 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 21.7333493299568 Number of Data Points: 86956 Relaxation Delay: 0.5 Observed Frequency: 500.13300078" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p165.s1734.d7694" ;
    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.s1734.d7694#sample> ;
    dct:title "1i[1i-1H]" ;
    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-d7694" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p165.s1734.d7694" ] ;
    dcat:landingPage <https://nmrxiv.org/D7694> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#measurement> .

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#measurement> a chmo:0000593,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#sample> .

<https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCOC(=O)/C=C/N(CC1=CC=CC=C1)C1(C#CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CCCCC1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ZBMZYOOBQJIEMC-FOWTUZBSSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C28H27F6NO2/c1-2-37-25(36)12-16-35(20-21-9-5-3-6-10-21)26(13-7-4-8-14-26)15-11-22-17-23(27(29,30)31)19-24(18-22)28(32,33)34/h3,5-6,9-10,12,16-19H,2,4,7-8,13-14,20H2,1H3/b16-12+" ] .

<https://nmrxiv.org/D7694> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p165.s1734.d7694#sample_compound> ;
    dct:title "evaluated sample" .