Dataset

OBn OH Acid.1d

This dataset contains NMR spectra obtained for the sample -OBn OH Aciddate: 2020-01-20T22:49:41.000ZisFt: falsename: OBn OH Acid/2phc0: 124.279phc1: -2.849581type: NMR FIDDECIM: 554.666666666667aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 0.000013866666666666664isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809digitalFilter: 67.9918823242188fieldStrength: 14.092007892665164numberOfScans: 256pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 10relaxationTime: 2acquisitionTime: 0.00012479999999999997frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-20T22:49:41.000ZisFt: truename: OBn OH Acid/2phc0: 124.279phc1: -2.849581type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 26.546952395702554isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809fieldStrength: 14.092007892665164numberOfScans: 256pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 10relaxationTime: 2acquisitionTime: 0.00012479999999999997frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C15H13BrO4/c16-12-8-14(13(17)6-11(12)7-15(18)19)20-9-10-4-2-1-3-5-10/h1-6,8,17H,7,9H2,(H,18,19)
SMILES O=C(O)CC1=CC(O)=C(OCC2=CC=CC=C2)C=C1Br
InChI Key KMTKZMXTVMXMFH-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s170.d721
License URL
Source https://nmrxiv.org/D721
Version
Author Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language english
MetadataPublished 2023-11-23 22:29:51
Related Molecule
  • nfdi4chem-mol4098 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 13C

    NMR spectrum by dimensionality : 1

    NMR probe : Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)

    Temperature : 298.2138 K

    magnetic field strength : 14.092007892665164 Tesla

    number of scans : 256 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 238.922571561323

    number of data points : 10 points

    relaxation time measurement : 2 seconds

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