Dataset

Butyl Amide.1d

This dataset contains NMR spectra obtained for the sample -Butyl Amidedate: 2020-01-25T23:42:51.000ZisFt: falsename: Butyl Amide/1phc0: -177.003phc1: -95.8type: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-25T23:42:51.000ZisFt: truename: Butyl Amide/1phc0: -177.003phc1: -95.8type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 8.84898413190085isComplex: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-25T23:42:51.000ZisFt: falsename: Butyl Amide/2phc0: -177.003phc1: -95.8type: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-25T23:42:51.000ZisFt: truename: Butyl Amide/2phc0: -177.003phc1: -95.8type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 8.84898413190085isComplex: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-25T23:42:51.000ZisFt: falsename: Butyl Amide/3phc0: -177.003phc1: -95.8type: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-25T23:42:51.000ZisFt: truename: Butyl Amide/3phc0: -177.003phc1: -95.8type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 8.84898413190085isComplex: 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: 28relaxationTime: 2acquisitionTime: 0.0003743999999999999frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-24T22:47:00.000ZisFt: falsename: Butyl Amide/4phc0: -4.419998phc1: 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: 298.2138spectrumSize: 65536baseFrequency: 600.13digitalFilter: 76fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 53relaxationTime: 1acquisitionTime: 0.002163200000001356frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 4acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-24T22:47:00.000ZisFt: truename: Butyl Amide/4phc0: -4.419998phc1: 0type: NMR SpectrumDECIM: 1664aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.385145928348427isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 298.2138spectrumSize: 65536baseFrequency: 600.13fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 53relaxationTime: 1acquisitionTime: 0.002163200000001356frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 4acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-24T22:47:00.000ZisFt: falsename: Butyl Amide/5phc0: -4.419998phc1: 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: 298.2138spectrumSize: 65536baseFrequency: 600.13digitalFilter: 76fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 53relaxationTime: 1acquisitionTime: 0.002163200000001356frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 5acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-01-24T22:47:00.000ZisFt: truename: Butyl Amide/5phc0: -4.419998phc1: 0type: NMR SpectrumDECIM: 1664aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.385145928348427isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 298.2138spectrumSize: 65536baseFrequency: 600.13fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 53relaxationTime: 1acquisitionTime: 0.002163200000001356frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 5acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C50H54BrNO5Si/c1-5-6-31-54-46-32-38(27-28-45(46)55-36-39-19-11-7-12-20-39)29-30-52-49(53)34-41-33-48(47(35-44(41)51)56-37-40-21-13-8-14-22-40)57-58(50(2,3)4,42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7-28,32-33,35H,5-6,29-31,34,36-37H2,1-4H3,(H,52,53)
SMILES	CCCCOC1=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	XLEADIRCTVGLST-UHFFFAOYSA-N

Data and Resources

Butyl Amide.1dHTML

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Related Molecule ⌄

nfdi4chem-mol4295 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p21.s107.d577
License URL
Source	https://nmrxiv.org/D577
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-mol4295 (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 : 2048 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.922571561323 number of data points : 28 points relaxation time measurement : 2 seconds

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