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 Info

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
MetadataCreated 2024-04-22T15:26:14.198234
MetadataModified 2024-09-23T09:27:21.471829
MetadataPublished 2023-11-23 22:29:51
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.