| SpectraBase Spectrum ID |
n6nGICdhYg |
| Name |
Phenylalanine, N-isovaleryl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.152143537 u |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17) |
| InChIKey |
ISJVRGWTEXYFJC-UHFFFAOYSA-N |
| Molecular Weight |
263.337 g/mol |
| SMILES |
C(=O)(NC(C(OC)=O)CC=1C=CC=CC1)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965999 |
