| SpectraBase Spectrum ID |
GGbP3ZoPuKw |
| Name |
L-Phenylalanine, N-(m-anisoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-22-15-10-6-9-14(12-15)17(20)19-16(18(21)23-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,19,20) |
| InChIKey |
KKEYBYFADKWFPE-UHFFFAOYSA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
COC1=CC(=CC=C1)C(NC(C(OC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968931 |
