SpectraBase Spectrum ID |
8IDKSbdypNe |
Name |
.alpha.-Methyl-dl-phenylalanine, N-trifluoroacetyl-, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.092577801 u |
Formula |
C13H14F3NO3 |
InChI |
InChI=1S/C13H14F3NO3/c1-12(11(19)20-2,17-10(18)13(14,15)16)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18) |
InChIKey |
QAWFLEIXKXBSNC-UHFFFAOYSA-N |
Molecular Weight |
289.254 g/mol |
SMILES |
C1(=CC=CC=C1)CC(C)(NC(C(F)(F)F)=O)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831268 |