| SpectraBase Spectrum ID |
EXh58a2jTAV |
| Name |
2,2-Dicyano-3-methyl-3-(4'-nitrophenyl)butyronitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.080375576 u |
| Formula |
C13H10N4O2 |
| InChI |
InChI=1S/C13H10N4O2/c1-12(2,13(7-14,8-15)9-16)10-3-5-11(6-4-10)17(18)19/h3-6H,1-2H3 |
| InChIKey |
WUJIBTURDASWON-UHFFFAOYSA-N |
| Molecular Weight |
254.249 g/mol |
| SMILES |
C(C(C1=CC=C(N(=O)=O)C=C1)(C)C)(C#N)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886312 |
