| SpectraBase Spectrum ID |
87OezmIK032 |
| Name |
2-Propenenitrile, 3-cyclopropyl-3-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
169.089149358 u |
| Formula |
C12H11N |
| InChI |
InChI=1S/C12H11N/c13-9-8-12(11-6-7-11)10-4-2-1-3-5-10/h1-5,8,11H,6-7H2/b12-8- |
| InChIKey |
RIFSAQCTHGUEIX-WQLSENKSSA-N |
| Molecular Weight |
169.227 g/mol |
| SMILES |
C1(=CC=CC=C1)\C(C1CC1)=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913434 |
