| SpectraBase Spectrum ID |
949OObZOsKT |
| Name |
L-Phenylalanine, N-(m-toluoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.136493473 u |
| Formula |
C18H19NO3 |
| InChI |
InChI=1S/C18H19NO3/c1-13-7-6-10-15(11-13)17(20)19-16(18(21)22-2)12-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey |
WBCFPPWDOFCQMO-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)CC(C(OC)=O)NC(C1=CC(C)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959587 |
