@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p88.s739.d3664> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -janolusimide-B CDCl3 date: 2014-05-25T23:08:59.000Z isFt: true name: janolusimide-B CDCl3/1 phc0: 68.06424 phc1: 14.65017 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.5554083716150472 isComplex: true probeName: 5 mm PABBO BB/19F-1H/D Z-GRD Z119470/0144 experiment: 1d groupDelay: 67.9862518310547 temperature: 300.0069 spectrumSize: 16384 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 28 pulseSequence: zg30 spectralWidth: 19.9947013781417 numberOfPoints: 37 relaxationTime: 0.1 acquisitionTime: 0.0017999999999999984 frequencyOffset: 2500.6500000017695 originFrequency: 500.13250065 pulseStrength90: 25000 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2011-09-13T06:40:27.000Z isFt: true name: janolusimide-B CDCl3/2 phc0: -157.0652 phc1: 41.6 type: NMR Spectrum DECIM: 8 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 12 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 11.347402977300144 isComplex: true probeName: 5 mm QNP 1H/13C/31P/19F Z-GRD Z8352/0117 experiment: 1d groupDelay: -1 temperature: 300.16 spectrumSize: 32768 baseFrequency: 75.467719 fieldStrength: 7.047527470409361 numberOfScans: 2000 pulseSequence: zgpg spectralWidth: 238.295462523303 numberOfPoints: 22 relaxationTime: 0.1759317 acquisitionTime: 0.0005837999999999986 frequencyOffset: 8378.28000000229 originFrequency: 75.47609728 pulseStrength90: 43689.32208502221 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2011-09-13T07:29:47.000Z isFt: true name: janolusimide-B CDCl3/3 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 24 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.2194729917262332 isComplex: false probeName: 5 mm QNP 1H/13C/31P/19F Z-GRD Z8352/0117 experiment: cosy groupDelay: -1 temperature: 300.16 spectrumSize: 1024,256 baseFrequency: 300.13,300.13 fieldStrength: 7.049031799154046 numberOfScans: 4 pulseSequence: cosygpppqf spectralWidth: 19.9752569255361,19.927469229542 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0007506 frequencyOffset: 1500.6500000254164,1500.6500000254164 originFrequency: 300.13150065,300.13150065 pulseStrength90: 27027.027027027027 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 isFt: true name: janolusimide-B CDCl3/4 phc0: 389.8035,0 phc1: -29.2,0 type: NMR Spectrum DECIM: 24,1 aqMod: 3,0 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 12,0 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4969071156920126 isComplex: false probeName: 5 mm QNP 1H/13C/31P/19F Z-GRD Z8352/0117, experiment: hsqc groupDelay: -1,-1 temperature: 300.16,300 spectrumSize: 1024,256 baseFrequency: 300.13,75.467719 fieldStrength: 7.049031799154046 numberOfScans: 8,1 pulseSequence: hsqcetgpsi,zg30 spectralWidth: 19.9752569255361,238.295462523302 numberOfPoints: 9 relaxationTime: 1 acquisitionTime: 0.0006672000000000001 frequencyOffset: 1500.6500000254164,8378.28000000229 originFrequency: 300.13150065,75.47609728 pulseStrength90: 27027.027027027027 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 isFt: true name: janolusimide-B CDCl3/5 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 24,1 aqMod: 3,0 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 12,0 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.99752569255361 isComplex: false probeName: 5 mm QNP 1H/13C/31P/19F Z-GRD Z8352/0117, experiment: hmbc groupDelay: -1,-1 temperature: 300.16,300 spectrumSize: 1024,256 baseFrequency: 300.13,75.467719 fieldStrength: 7.049031799154046 numberOfScans: 16,1 pulseSequence: hmbcgplpndqf,zg30 spectralWidth: 19.9752569255361,238.295462523302 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.000834 frequencyOffset: 1500.6500000254164,8378.28000000229 originFrequency: 300.13150065,75.47609728 pulseStrength90: 27027.027027027027 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 isFt: true name: janolusimide-B CDCl3/6 phc0: 183.6389,92.73125 phc1: -1,-185.6 type: NMR Spectrum DECIM: 24,1 aqMod: 3,0 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN		Version 2.1 DSPFVS: 12,0 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.4969071156920126 isComplex: false probeName: 5 mm QNP 1H/13C/31P/19F Z-GRD Z8352/0117, experiment: noesy groupDelay: -1,-1 temperature: 300.16,300 spectrumSize: 1024,256 baseFrequency: 300.13,300.13 fieldStrength: 7.049031799154046 numberOfScans: 8,1 pulseSequence: noesygpphpp.rak,zg30 spectralWidth: 19.9752569255361,19.927469229542 numberOfPoints: 9 relaxationTime: 1 acquisitionTime: 0.0006672000000000001 frequencyOffset: 1500.6500000254164,1500.6500000254164 originFrequency: 300.13150065,300.13150065 pulseStrength90: 27027.027027027027 experimentNumber: 6 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p88.s739.d3664" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p88.s739.d3664#sample> ;
    dct:title "janolusimide-B CDCl3.1d" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p88.s739.d3664#measurement> .

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

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

<https://doi.org/10.57992/nmrxiv.p88.s739.d3664#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p88.s739.d3664#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/132561202> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H35N3O5/c1-10(2)14-16(25)20(6,7)19(28)23(14)18(27)11(3)15(24)12(4)21-17(26)13(5)22(8)9/h10-15,24H,1-9H3,(H,21,26)/t11-,12+,13+,14+,15+/m1/s1" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)[C@H]1C(=O)C(C)(C)C(=O)N1C(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@H](C)N(C)C" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ANARGESUVAEGNN-QTVXIADOSA-N" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p88.s739.d3664#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/132561202> ;
    dct:title "evaluated sample" .