Dataset

Hexyl hexyl prefinal.1d

This dataset contains NMR spectra obtained for the sample -Hexyl hexyl prefinaldate: 2020-08-31T20:40:24.000ZisFt: falsename: Hexyl hexyl prefinal/1phc0: 115.32phc1: 0type: NMR FIDDECIM: 1664aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21fnMode: undefinednucleus: 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: 14relaxationTime: 1acquisitionTime: 0.000540800000000339frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Info

molecular Image
InChI InChI=1S/C43H52BrNO4/c1-3-5-7-15-23-46-40-25-34-21-22-45-29-37-36(26-39(45)35(34)27-41(40)48-30-32-17-11-9-12-18-32)38(44)28-42(43(37)47-24-16-8-6-4-2)49-31-33-19-13-10-14-20-33/h9-14,17-20,25,27-28,39H,3-8,15-16,21-24,26,29-31H2,1-2H3/t39-/m0/s1
SMILES CCCCCCOC1=C(OCC2=CC=CC=C2)C=C2C(=C1)CCN1CC3=C(C[C@@H]21)C(Br)=CC(OCC1=CC=CC=C1)=C3OCCCCCC
InChI Key YMCOIDCFAQNCDR-KDXMTYKHSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s171.d722
License URL
Source https://nmrxiv.org/D722
Version
Author Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language english
MetadataCreated 2024-04-22T15:26:03.060412
MetadataModified 2024-09-23T09:27:21.749349
MetadataPublished 2023-11-23 22:29:51
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H']

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 : 14.095010340939984 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 20.0275882741182

number of data points : 14 points

relaxation time measurement : 1 seconds

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