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

*Links on SpectraBase are not permalinks.

Phenylalanine, dl, .alpha.-methyl-N-2-butyl-, 2-butyl ester

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

Phenylalanine, dl, .alpha.-methyl-N-2-butyl-, 2-butyl ester
SpectraBase Compound ID 98eo4EZSIka
InChI InChI=1S/C18H29NO2/c1-6-14(3)19-18(5,17(20)21-15(4)7-2)13-16-11-9-8-10-12-16/h8-12,14-15,19H,6-7,13H2,1-5H3
InChIKey QQWQUKFFFFMODG-UHFFFAOYSA-N
Mol Weight 291.44 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 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 28KGcwFWSOr
Name Phenylalanine, dl, .alpha.-methyl-N-2-butyl-, 2-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-6-14(3)19-18(5,17(20)21-15(4)7-2)13-16-11-9-8-10-12-16/h8-12,14-15,19H,6-7,13H2,1-5H3
InChIKey QQWQUKFFFFMODG-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)CC(C)(NC(C)CC)C(=O)OC(C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91495