| SpectraBase Spectrum ID |
EB2Q6wrEJ7u |
| Name |
Benzeneacetonitrile, .alpha.-(methylenecyclopropyl)-.alpha.-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.120449487 u |
| Formula |
C18H15N |
| InChI |
InChI=1S/C18H15N/c1-14-12-17(14)18(13-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,1,12H2 |
| InChIKey |
RVPSBSWJVGDZTJ-UHFFFAOYSA-N |
| Molecular Weight |
245.325 g/mol |
| SMILES |
C1(C(=C)C1)C(C#N)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908747 |
