For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl N-benzylidene-(S)-valinate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl N-benzylidene-(S)-valinate
SpectraBase Compound ID 3J2mok6vwAZ
InChI InChI=1S/C13H17NO2/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b14-9+/t12-/m0/s1
InChIKey SWJMYFGBQCCKMR-IGVUGNCQSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GhdmIMMo0rp
Name Methyl N-benzylidene-(S)-valinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b14-9+/t12-/m0/s1
InChIKey SWJMYFGBQCCKMR-IGVUGNCQSA-N
Molecular Weight 219.284 g/mol
SMILES [C@](\N=C\C1=CC=CC=C1)(C(=O)OC)(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814025