| SpectraBase Spectrum ID |
6zuroEyrY1q |
| Name |
2-Benzamido-3-(4-methylphenyl)propanoic acid 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/c1-13-8-10-14(11-9-13)12-16(18(21)22-2)19-17(20)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey |
VHUBPUGUQNKUOV-UHFFFAOYSA-N |
| Molecular Weight |
297.354 g/mol |
| SMILES |
C(NC(C(=O)OC)CC1=CC=C(C=C1)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953179 |
