Dataset

OH, OTBDPS, DiOBn amide[1]

This dataset contains NMR spectra obtained for the sample -OH, OTBDPS, DiOBn amidedate: 2020-01-06T21:40:29.000ZisFt: falsename: OH, OTBDPS, DiOBn amide/1phc0: 167.6328phc1: -6.488135type: 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: 298.1749spectrumSize: 65536baseFrequency: 400.18digitalFilter: 67.9842376708984fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 128relaxationTime: 1acquisitionTime: 0.00792480000000495frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-06T21:40:29.000ZisFt: truename: OH, OTBDPS, DiOBn amide/1phc0: 167.6328phc1: -6.488135type: NMR SpectrumDECIM: 2496aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.1576607659223504isComplex: trueprobeName: Z108618_0428 (PA BBO 400S1 BBF-H-D-05 Z PLUS)experiment: 1dgroupDelay: 67.9842376708984temperature: 298.1749spectrumSize: 65536baseFrequency: 400.18fieldStrength: 9.398865642839658numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0229172721385numberOfPoints: 128relaxationTime: 1acquisitionTime: 0.00792480000000495frequencyOffset: 2471.1109999770997originFrequency: 400.182471111pulseStrength90: 22727.272727272728experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C46H46BrNO5Si/c1-46(2,3)54(38-20-12-6-13-21-38,39-22-14-7-15-23-39)53-44-29-37(40(47)31-43(44)52-33-36-18-10-5-11-19-36)30-45(50)48-27-26-34-24-25-42(41(49)28-34)51-32-35-16-8-4-9-17-35/h4-25,28-29,31,49H,26-27,30,32-33H2,1-3H3,(H,48,50)
SMILES CC(C)(C)[Si](OC1=CC(CC(=O)NCCC2=CC(O)=C(OCC3=CC=CC=C3)C=C2)=C(Br)C=C1OCC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key DEVANUOWUHGEBS-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s138.d660
License URL
Source https://nmrxiv.org/D660
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-mol3387 (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 : 298.1749 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 : 128 points

    relaxation time measurement : 1 seconds

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