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

*Links on SpectraBase are not permalinks.

2-(Butylamino)-3-phenyl-propionic acid methyl ester

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

2-(Butylamino)-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID CrXVR84MLXZ
InChI InChI=1S/C14H21NO2/c1-3-4-10-15-13(14(16)17-2)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKey KSSYFLBKFSTZDB-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 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 LJsGhjWkWDS
Name 2-(Butylamino)-3-phenyl-propionic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.157228918 u
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-3-4-10-15-13(14(16)17-2)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKey KSSYFLBKFSTZDB-UHFFFAOYSA-N
Molecular Weight 235.327 g/mol
SMILES C(C(CC1=CC=CC=C1)NCCCC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887549