| SpectraBase Spectrum ID |
5dg5etI4zGP |
| Name |
2-Benzoyl-2,3-dihydropyrrole-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.089543280 u |
| Formula |
C13H13NO3 |
| InChI |
InChI=1S/C13H13NO3/c1-17-13(16)14-9-5-8-11(14)12(15)10-6-3-2-4-7-10/h2-7,9,11H,8H2,1H3 |
| InChIKey |
GESQSJKURSAGAY-UHFFFAOYSA-N |
| Molecular Weight |
231.251 g/mol |
| SMILES |
C(N1C(C(=O)C=2C=CC=CC2)CC=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958764 |
