| SpectraBase Spectrum ID |
16jHU1iW8LQ |
| Name |
Ethyl 1-(phenylmethyl)azacyclopent-2-ene-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.125928789 u |
| Formula |
C14H17NO2 |
| InChI |
InChI=1S/C14H17NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3 |
| InChIKey |
YOYRIIOMGPJBMY-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C=1N(CCC1C(=O)OCC)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953092 |
