@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.s1413.d6273> 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 -versilulin C Nucleus: 1H NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: 1d Temperature: 298.0017 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0275882741182 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.133705802 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: cosy Temperature: 298.002 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 12 NMR Pulse Sequence: cosygpmfqf Spectral Width: 13.0179346562932,13.0179346562932 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 600.13360078,600.13360078 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: hsqc Temperature: 298.0011 Observed Frequency: 600.13,150.902808526 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: hsqcetgpsisp2.2 Spectral Width: 13.0179515795287,219.407923402346 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 600.132820611,150.917898806853 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: hmbc Temperature: 298.002 Observed Frequency: 600.13,150.902808526 Magnetic Field Strength: 14.095010308659894 Number of Scans: 36 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 13.0179346562932,219.407923402132 Number of Data Points: 4096,128 Relaxation Delay: 1.5 Observed Frequency: 600.13360078,150.917898807 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: noesy Temperature: 298.0014 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: noesygpphpp Spectral Width: 10.0138089073298,10.0138089073298 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.132820611,600.132820611 Nucleus: 13C NMR Solvent: DMSO NMR Probe: Z126282_0007 (CP TCI 600S3 H&F-C/N-D-05 Z ET) NMR Pulse Sequence: 1d Temperature: 297.9939 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 2000 NMR Pulse Sequence: zgpg30 Spectral Width: 240.076785751492 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.s1413.d6273" ;
    dct:issued "2025-12-20"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-20"^^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.s1413.d6273#sample> ;
    dct:title "versilulin C[11]" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.s1413.d6273" ],
        [ 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-d6273" ] ;
    dcat:landingPage <https://nmrxiv.org/D6273> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.s1413.d6273#measurement> .

chmo:0000599 a schema1:DefinedTerm ;
    schema1:name "correlation spectroscopy" .

<https://doi.org/10.57992/nmrxiv.s1413.d6273#measurement> a chmo:0000599,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.s1413.d6273#sample> .

<https://doi.org/10.57992/nmrxiv.s1413.d6273#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C28H22O10/c1-9-5-13(29)19(33)24-17(9)28(18-10(2)6-14(30)20(34)25(18)37-24)12(4)8-16(32)23-27(28)38-22-11(3)7-15(31)21(35)26(22)36-23/h5-8,29-31,33-35H,1-4H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC1=CC(=O)C2=C(OC3=C(O2)C(O)=C(O)C=C3C)C12C1=C(C)C=C(O)C(O)=C1OC1=C(O)C(O)=CC(C)=C12" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "GLOZBXDBURTYNA-UHFFFAOYSA-N" ] .

<https://nmrxiv.org/D6273> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.s1413.d6273#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.s1413.d6273#sample_compound> ;
    dct:title "evaluated sample" .