@prefix adms: . @prefix bfo: . @prefix chebi: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dcatap: . @prefix dct: . @prefix foaf: . @prefix prov: . @prefix schema1: . @prefix sio: . @prefix skos: . @prefix xsd: . a dcat:Dataset ; dcatap:applicableLegislation ; 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 -CB3 date: 2023-02-10T15:29:14.000Z isFt: false name: CB3/2 phc0: 79.3 phc1: 0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00004199999999999998 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.0026 spectrumSize: 131072 baseFrequency: 599.75 digitalFilter: 76 fieldStrength: 14.086085434787059 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 19.8494472135723 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0003779999999999998 frequencyOffset: 2818.1349999840677 originFrequency: 599.752818135 pulseStrength90: 39432.17665615142 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-02-10T15:29:14.000Z isFt: true name: CB3/2 phc0: 79.3 phc1: 0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.205494134841367 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.0026 spectrumSize: 131072 baseFrequency: 599.75 fieldStrength: 14.086085434787059 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 19.8494472135723 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0003779999999999998 frequencyOffset: 2818.1349999840677 originFrequency: 599.752818135 pulseStrength90: 39432.17665615142 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-02-11T00:35:35.000Z isFt: false name: CB3/3 phc0: 92.94 phc1: 0 type: NMR FID DECIM: 584 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000014599999999999996 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 298.0027 spectrumSize: 262144 baseFrequency: 150.80725745 digitalFilter: 76 fieldStrength: 14.083084843414596 numberOfScans: 4096 pulseSequence: zgzrse spectralWidth: 227.06340008468 numberOfPoints: 10 relaxationTime: 0.1 acquisitionTime: 0.00013139999999999997 frequencyOffset: 16588.79599997931 originFrequency: 150.823846246 pulseStrength90: 20833.333333333332 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-02-11T00:35:35.000Z isFt: true name: CB3/3 phc0: 92.94 phc1: 0 type: NMR Spectrum DECIM: 584 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 25.229266676075557 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 298.0027 spectrumSize: 262144 baseFrequency: 150.80725745 fieldStrength: 14.083084843414596 numberOfScans: 4096 pulseSequence: zgzrse spectralWidth: 227.06340008468 numberOfPoints: 10 relaxationTime: 0.1 acquisitionTime: 0.00013139999999999997 frequencyOffset: 16588.79599997931 originFrequency: 150.823846246 pulseStrength90: 20833.333333333332 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-02-11T01:08:35.000Z isFt: false name: CB3/4 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.000041999999999999984 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.0012 spectrumSize: 4096,1024 baseFrequency: 599.75,599.75 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 2 pulseSequence: cosygpqf spectralWidth: 19.8494472135723,19.8494473723679 numberOfPoints: 3 relaxationTime: 1.5 acquisitionTime: 0.00008399999999999997 frequencyOffset: 2818.1349999840677,2818.1349999840677 originFrequency: 599.752818135,599.752818135 pulseStrength90: 39432.17665615142 experimentNumber: 4 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2023-02-11T02:15:26.000Z isFt: false name: CB3/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.000041999999999999984 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 297.9983 spectrumSize: 8192,1024 baseFrequency: 599.75,150.80725745 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 19.8494472135723,200.000000631206 numberOfPoints: 3 relaxationTime: 1.5 acquisitionTime: 0.00008399999999999997 frequencyOffset: 2818.1349999840677,15077.074000004131 originFrequency: 599.752818135,150.822334524 pulseStrength90: 39432.17665615142 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2023-02-11T02:36:08.000Z isFt: false name: CB3/6 phc0: 169.35,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.000041999999999999984 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 297.9999 spectrumSize: 8192,1024 baseFrequency: 599.75,150.80725745 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.3 spectralWidth: 19.8494472135723,200.000003938487 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00008399999999999997 frequencyOffset: 2818.1349999840677,12064.579999986336 originFrequency: 599.752818135,150.81932203 pulseStrength90: 39432.17665615142 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p61.s423.d2133" ; dct:issued "2024-04-22"^^xsd:date ; dct:language [ a dct:LinguisticSystem ; dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ; dct:title "en" ] ; dct:modified "2026-01-03"^^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 ; dct:title "CB3[6]" ; adms:identifier [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p61.s423.d2133" ], [ 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-d2133" ] ; dcat:landingPage ; prov:wasGeneratedBy . chmo:0000604 a schema1:DefinedTerm ; schema1:name "heteronuclear single quantum coherence" . a ; dct:title "Attribution-NonCommercial-NoDerivs 4.0 International " . a chmo:0000604, prov:Activity ; dct:description "The kind of activity/process used to generate the dataset" ; prov:used . a chebi:23367 ; sio:000008 [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "SPVGMJGFMCEOLB-QOFCDOINSA-N" ], [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N(C(C)=O)C(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C31H39NO6/c1-19-10-8-14-24(34)16-17-27(35)38-31-25(15-9-11-19)29(36)21(3)20(2)28(31)26(32(22(4)33)30(31)37)18-23-12-6-5-7-13-23/h5-7,9,12-13,15-17,19-20,24-26,28-29,34,36H,3,8,10-11,14,18H2,1-2,4H3/b15-9+,17-16+/t19-,20-,24-,25+,26+,28+,29-,31-/m1/s1" ] . a foaf:Document . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .