Dataset

Pr-OTBDPS_DI_Bn_amide.1d

This dataset contains NMR spectra obtained for the sample -Pr-OTBDPS_DI_Bn_amidedate: 2020-01-06T21:36:27.000ZisFt: falsename: Pr-OTBDPS_DI_Bn_amide/1phc0: 42.56phc1: 0type: NMR FIDDECIM: 1664aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00004160000000002607isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 297.8329spectrumSize: 65536baseFrequency: 600.13digitalFilter: 76fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 73relaxationTime: 1acquisitionTime: 0.002995200000001877frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-06T21:36:27.000ZisFt: truename: Pr-OTBDPS_DI_Bn_amide/1phc0: 42.56phc1: 0type: NMR SpectrumDECIM: 1664aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.27816094825164167isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 297.8329spectrumSize: 65536baseFrequency: 600.13fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 73relaxationTime: 1acquisitionTime: 0.002995200000001877frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-07T19:54:07.000ZisFt: falsename: Pr-OTBDPS_DI_Bn_amide/2phc0: -175.7597phc1: -102.2type: NMR FIDDECIM: 554.666666666667aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 0.000013866666666666662isComplex: 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: 2048pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 52relaxationTime: 2acquisitionTime: 0.0007071999999999997frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-07T19:54:07.000ZisFt: truename: Pr-OTBDPS_DI_Bn_amide/2phc0: -175.7597phc1: -102.2type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 4.6847563051239804isComplex: 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: 2048pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 52relaxationTime: 2acquisitionTime: 0.0007071999999999997frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C49H52BrNO5Si/c1-5-30-53-45-31-37(26-27-44(45)54-35-38-18-10-6-11-19-38)28-29-51-48(52)33-40-32-47(46(34-43(40)50)55-36-39-20-12-7-13-21-39)56-57(49(2,3)4,41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-27,31-32,34H,5,28-30,33,35-36H2,1-4H3,(H,51,52)
SMILES	CCCOC1=C(OCC2=CC=CC=C2)C=CC(CCNC(=O)CC2=C(Br)C=C(OCC3=CC=CC=C3)C(O[Si](C3=CC=CC=C3)(C3=CC=CC=C3)C(C)(C)C)=C2)=C1
InChI Key	IBTJSLBNOQOQOE-UHFFFAOYSA-N

Data and Resources

Pr-OTBDPS_DI_Bn_amide.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p21.s162.d709
License URL
Source	https://nmrxiv.org/D709
Version
Author	Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:05:07.349162
MetadataModified	2024-09-23T09:31:36.084049
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 : 2048 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.922571561323 number of data points : 52 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
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