| SpectraBase Spectrum ID |
1nHu21x7Jyk |
| Name |
1-Cyano-1-phenyl-1-(2-iodo-4-nitrophenyl)ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.986522600 u |
| Formula |
C15H11IN2O2 |
| InChI |
InChI=1S/C15H11IN2O2/c1-15(10-17,11-5-3-2-4-6-11)13-8-7-12(18(19)20)9-14(13)16/h2-9H,1H3 |
| InChIKey |
XCQCXPPSNNTJCP-UHFFFAOYSA-N |
| Molecular Weight |
378.169 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(I)C(C(C#N)(C=2C=CC=CC2)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832378 |
