Dataset

Piperine.proton

This dataset contains NMR spectra obtained for the sample -Piperine date: 2005-06-23T07:18:24.000Z isFt: true name: Piperine/1 phc0: -126.0292 phc1: -6.8 type: NMR FID DECIM: 32 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: proton groupDelay: -1 temperature: 298 spectrumSize: 16384 baseFrequency: 399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 8 pulseSequence: zg spectralWidth: 10.0171826310288 numberOfPoints: 23 relaxationTime: 1 acquisitionTime: 0.002745600000000001 frequencyOffset: 1799.7840000134602 originFrequency: 399.953799784 pulseStrength90: 22727.272727272728 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2005-06-23T07:34:05.000Z isFt: true name: Piperine/2 phc0: -118.7103 phc1: 0 type: NMR FID DECIM: 6 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000024899999999999917 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: c13 groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56797 digitalFilter: 59.08333333333333 fieldStrength: 9.391505939358051 numberOfScans: 1024 pulseSequence: zgdc spectralWidth: 199.650185201374 numberOfPoints: 25 relaxationTime: 1 acquisitionTime: 0.000597599999999998 frequencyOffset: 9553.957150004066 originFrequency: 100.57752395715 pulseStrength90: 62500 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2005-06-23T08:24:24.000Z isFt: false name: Piperine/5 phc0: 184.7696,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: hsqc groupDelay: -1 temperature: 298.1 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56797 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: hsqcetgpsp spectralWidth: 10.0171826310288,150.023656401189 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0013728000000000004 frequencyOffset: 1799.7840000134602,7140.325869997355 originFrequency: 399.953799784,100.57511032587 pulseStrength90: 22321.428571428572 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2005-06-23T09:56:46.000Z isFt: false name: Piperine/4 phc0: -303.6713,89.17486 phc1: -16,-181 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,256 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 10.0171826310288,10.0161743998664 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00024960000000000005 frequencyOffset: 1799.7840000134602,1999.759999989692 originFrequency: 399.953799784,399.95399976 pulseStrength90: 22321.428571428572 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2005-06-23T08:18:35.000Z isFt: false name: Piperine/3 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 1 pulseSequence: cosygpqf spectralWidth: 10.0171826310288,10.0161794079311 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.0006240000000000001 frequencyOffset: 1799.7840000134602,1799.7840000134602 originFrequency: 399.953799784,399.953799784 pulseStrength90: 22321.428571428572 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,3 date: 2005-06-23T14:54:18.000Z isFt: false name: Piperine/6 phc0: 184.7696,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56797 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 16 pulseSequence: hmbcetgpl2nd.ber spectralWidth: 10.0171826310288,179.956185032188 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00024960000000000005 frequencyOffset: 1799.7840000134602,9553.957150004066 originFrequency: 399.953799784,100.57752395715 pulseStrength90: 22321.428571428572 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4

Chemical Information

molecular Image
InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
SMILES O=C(/C=C/C=C/C1=CC2=C(C=C1)OCO2)N1CCCCC1
InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N
Molecular Formula C17H19NO3
Exact Mass 285.340 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s256.d1481
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1481
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080

    Temperature : 298 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : zg

    Spectral Width : 10.0171826310288

    number of data points : 23 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    DB12582 drugbank
    CHEBI:28821 chebi
    AYR rcsb_pdb
    CHEMBL43185 chembl
    29358781 surechembl
    94058 surechembl
    638024 pubchem
    U71XL721QK fdasrs
    PD001540 probes_and_drugs
    PIPINE CCDC
    179890 brenda
    20806 brenda
    45695 brenda
    HMDB0029377 hmdb
    410499 bindingdb
    410502 bindingdb
    50158320 bindingdb
    50547680 bindingdb
    50547681 bindingdb
    50547682 bindingdb
    50929630 bindingdb
    50929650 bindingdb
    50952597 bindingdb
    50952598 bindingdb
    50980621 bindingdb
    50980631 bindingdb
    51015593 bindingdb
    51189385 bindingdb
    51209977 bindingdb
    51230055 bindingdb
    51292031 bindingdb
    51475726 bindingdb
    51475727 bindingdb
    51489951 bindingdb
    Molport-001-759-210 molport
    The data in this table is sourced from UniChem at EBI.