| SpectraBase Spectrum ID |
icKkjEa0Ig |
| Name |
2,2-Diphenyl-3-nitro-1-cyanopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.105527697 u |
| Formula |
C16H14N2O2 |
| InChI |
InChI=1S/C16H14N2O2/c17-12-11-16(13-18(19)20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11,13H2 |
| InChIKey |
MMJRENFSBVLISC-UHFFFAOYSA-N |
| Molecular Weight |
266.300 g/mol |
| SMILES |
C(N(=O)=O)C(C1=CC=CC=C1)(C=1C=CC=CC1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975249 |
