| SpectraBase Spectrum ID |
CF2ohUmGsVF |
| Name |
(E)-2,3-bis(2,2-Dimethylethyl)butenedinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.146998588 u |
| Formula |
C12H18N2 |
| InChI |
InChI=1S/C12H18N2/c1-9(2)5-11(7-13)12(8-14)6-10(3)4/h9-10H,5-6H2,1-4H3/b12-11+ |
| InChIKey |
WIIDPQIQLXGKSD-VAWYXSNFSA-N |
| Molecular Weight |
190.290 g/mol |
| SMILES |
C(\C(=C\(C#N)CC(C)C)CC(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926873 |
