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3-benzyl-2-cyano-3-methylvaleric acid, ethyl ester

View entire compound with spectra: 1 NMR, and 2 FTIR

3-benzyl-2-cyano-3-methylvaleric acid, ethyl ester
SpectraBase Compound ID KCG9A6scaFZ
InChI InChI=1S/C16H21NO2/c1-4-16(3,11-13-9-7-6-8-10-13)14(12-17)15(18)19-5-2/h6-10,14H,4-5,11H2,1-3H3
InChIKey NRQJBGPWJLKSHK-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ILFGTbSDQPc
Name 3-BENZYL-2-CYANO-3-METHYLVALERIC ACID, ETHYL ESTER
Source of Sample F. PROUT, DEPAUL UNIVERSITY, CHICAGO, ILLINOIS
Boiling Point 171C/1mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-4-16(3,11-13-9-7-6-8-10-13)14(12-17)15(18)19-5-2/h6-10,14H,4-5,11H2,1-3H3
InChIKey NRQJBGPWJLKSHK-UHFFFAOYSA-N
Molecular Weight 259.348999
Synonyms VALERIC ACID, 3-BENZYL-2-CYANO- 3-METHYL-, ETHYL ESTER
Technique CAPILLARY CELL: NEAT