Dataset

TBS Bn Amine[1]

This dataset contains NMR spectra obtained for the sample -TBS Bn Aminedate: 2019-12-04T22:07:58.000ZisFt: falsename: TBS Bn Amine/1phc0: 168.9406phc1: 2.391171type: 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: 298.2057spectrumSize: 65536baseFrequency: 400.18digitalFilter: 67.9842376708984fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 40relaxationTime: 1acquisitionTime: 0.0024336000000015202frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2019-12-04T22:07:58.000ZisFt: truename: TBS Bn Amine/1phc0: 168.9406phc1: 2.391171type: NMR SpectrumDECIM: 2496aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.5134081351830384isComplex: trueprobeName: Z108618_0428 (PA BBO 400S1 BBF-H-D-05 Z PLUS)experiment: 1dgroupDelay: 67.9842376708984temperature: 298.2057spectrumSize: 65536baseFrequency: 400.18fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 40relaxationTime: 1acquisitionTime: 0.0024336000000015202frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C21H31NO2Si/c1-21(2,3)25(4,5)24-20-15-17(13-14-22)11-12-19(20)23-16-18-9-7-6-8-10-18/h6-12,15H,13-14,16,22H2,1-5H3
SMILES CC(C)(C)[Si](C)(C)OC1=C(OCC2=CC=CC=C2)C=CC(CCN)=C1
InChI Key NQECIGUNCJZSTO-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s132.d648
License URL
Source https://nmrxiv.org/D648
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-mol6330 (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 : 298.2057 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 : 40 points

    relaxation time measurement : 1 seconds

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