| SpectraBase Spectrum ID |
JLj4CMHFIBN |
| Name |
3-Ethoxy-5-phenyl-2,2-dicyclopropyl-2H-pyrrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.162314299 u |
| Formula |
C18H21NO |
| InChI |
InChI=1S/C18H21NO/c1-2-20-17-12-16(13-6-4-3-5-7-13)19-18(17,14-8-9-14)15-10-11-15/h3-7,12,14-15H,2,8-11H2,1H3 |
| InChIKey |
ZPVJFGUFIQITTH-UHFFFAOYSA-N |
| Molecular Weight |
267.372 g/mol |
| SMILES |
C1(N=C(C2=CC=CC=C2)C=C1OCC)(C1CC1)C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962816 |
