| SpectraBase Spectrum ID |
DCcRH2G9Q9o |
| Name |
2H-Pyrrole-3-carboxylic acid, 3-cyano-4-ethoxy-3,4-dihydro-2,2-dimethyl-5-phenyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.163042573 u |
| Formula |
C18H22N2O3 |
| InChI |
InChI=1S/C18H22N2O3/c1-5-22-15-14(13-10-8-7-9-11-13)20-17(3,4)18(15,12-19)16(21)23-6-2/h7-11,15H,5-6H2,1-4H3 |
| InChIKey |
AOFGQJCOFDUAMW-UHFFFAOYSA-N |
| Molecular Weight |
314.385 g/mol |
| SMILES |
C1(C(N=C(C1OCC)C1=CC=CC=C1)(C)C)(C(=O)OCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897111 |
