Dataset

OPr-Obn bromo Acid pure[1]

This dataset contains NMR spectra obtained for the sample -OPr-Obn bromo Acid puredate: 2019-12-10T23:40:47.000ZisFt: falsename: OPr-Obn bromo Acid pure/1phc0: 176.3837phc1: -13.041type: NMR FIDDECIM: 2496aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00006240000000003898isComplex: trueprobeName: Z108618_0428 (PA BBO 400S1 BBF-H-D-05 Z PLUS)experiment: 1dgroupDelay: 67.9842376708984temperature: 298.2012spectrumSize: 65536baseFrequency: 400.18digitalFilter: 67.9842376708984fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 37relaxationTime: 1acquisitionTime: 0.0022464000000014034frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2019-12-10T23:40:47.000ZisFt: truename: OPr-Obn bromo Acid pure/1phc0: 176.3837phc1: -13.041type: NMR SpectrumDECIM: 2496aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.5561921464482916isComplex: trueprobeName: Z108618_0428 (PA BBO 400S1 BBF-H-D-05 Z PLUS)experiment: 1dgroupDelay: 67.9842376708984temperature: 298.2012spectrumSize: 65536baseFrequency: 400.18fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 37relaxationTime: 1acquisitionTime: 0.0022464000000014034frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C33H34BrNO5/c1-2-17-38-32-18-24(13-14-30(32)39-22-25-9-5-3-6-10-25)15-16-35-33(37)20-27-19-29(36)31(21-28(27)34)40-23-26-11-7-4-8-12-26/h3-14,18-19,21,36H,2,15-17,20,22-23H2,1H3,(H,35,37)
SMILES CCCOC1=C(OCC2=CC=CC=C2)C=CC(CCNC(=O)CC2=C(Br)C=C(OCC3=CC=CC=C3)C(O)=C2)=C1
InChI Key VOAMREWJVBWQSA-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s120.d621
License URL
Source https://nmrxiv.org/D621
Version
Author Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language english
MetadataPublished 2023-11-23T22:29:51.000000Z
Related Molecule
  • nfdi4chem-mol6768 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z108618_0428 (PA BBO 400S1 BBF-H-D-05 Z PLUS)

    Temperature : 298.2012 K

    magnetic field strength : 9.398865642839658 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 20.0229172721385

    number of data points : 37 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.