| SpectraBase Spectrum ID |
kNfXoJmrDX |
| Name |
1-Benzamido-2-p-tolylcyclopropanecarboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-3-24-19(23)20(21-18(22)16-7-5-4-6-8-16)13-17(20)15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,21,22) |
| InChIKey |
CKCOLMUDRROPMD-UHFFFAOYSA-N |
| Molecular Weight |
323.392 g/mol |
| SMILES |
N(C1(CC1C1=CC=C(C=C1)C)C(OCC)=O)C(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.772649 |
