| SpectraBase Spectrum ID |
Io3pGNoOSXk |
| Name |
Methyl ester of phenylalanine .alpha.-phenylbutyramide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.167793602 u |
| Formula |
C20H23NO3 |
| InChI |
InChI=1S/C20H23NO3/c1-3-17(16-12-8-5-9-13-16)19(22)21-18(20(23)24-2)14-15-10-6-4-7-11-15/h4-13,17-18H,3,14H2,1-2H3,(H,21,22) |
| InChIKey |
ZYWZLNRRQYGOFP-UHFFFAOYSA-N |
| Molecular Weight |
325.408 g/mol |
| SMILES |
C(NC(C(=O)OC)CC=1C=CC=CC1)(C(C1=CC=CC=C1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957839 |
