| SpectraBase Spectrum ID |
1xkfMhrJOIe |
| Name |
3H-Pyrrole-3,3-dicarbonitrile, 4-ethoxy-2,4-dihydro-2,2-dimethyl-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.137162178 u |
| Formula |
C16H17N3O |
| InChI |
InChI=1S/C16H17N3O/c1-4-20-14-13(12-8-6-5-7-9-12)19-15(2,3)16(14,10-17)11-18/h5-9,14H,4H2,1-3H3 |
| InChIKey |
UIRUCOXIUIWJTL-UHFFFAOYSA-N |
| Molecular Weight |
267.332 g/mol |
| SMILES |
C1(C(N=C(C1OCC)C1=CC=CC=C1)(C)C)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830291 |
