Dataset

TBDPS OH amide[1]

This dataset contains NMR spectra obtained for the sample -TBDPS OH amidedate: 2020-08-19T20:59:46.000ZisFt: falsename: TBDPS OH amide/1phc0: 237.6236phc1: -1.511246type: NMR FIDDECIM: 24aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00006240000000000019isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 8pulseSequence: zg30spectralWidth: 16.0213765034678numberOfPoints: 8relaxationTime: 1acquisitionTime: 0.0004368000000000013frequencyOffset: 3088.5074780258037originFrequency: 500.133088507478pulseStrength90: 26315.78947368421experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-08-19T20:59:46.000ZisFt: truename: TBDPS OH amide/1phc0: 237.6236phc1: -1.511246type: NMR SpectrumDECIM: 24aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 2.2887680719239714isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 500.13fieldStrength: 11.746350827011339numberOfScans: 8pulseSequence: zg30spectralWidth: 16.0213765034678numberOfPoints: 8relaxationTime: 1acquisitionTime: 0.0004368000000000013frequencyOffset: 3088.5074780258037originFrequency: 500.133088507478pulseStrength90: 26315.78947368421experimentNumber: 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.s160.d703
License URL
Source https://nmrxiv.org/D703
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 : 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003

    Temperature : 298.2 K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 16.0213765034678

    number of data points : 8 points

    relaxation time measurement : 1 seconds

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