| SpectraBase Spectrum ID |
79n2WldPvJK |
| Name |
2-Allyl-2-(3-methyl-2-methylenebut-3-enyl)malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.115698459 u |
| Formula |
C12H14N2 |
| InChI |
InChI=1S/C12H14N2/c1-5-6-12(8-13,9-14)7-11(4)10(2)3/h5H,1-2,4,6-7H2,3H3 |
| InChIKey |
AFPYSXMWCWEBNO-UHFFFAOYSA-N |
| Molecular Weight |
186.258 g/mol |
| SMILES |
C(C(C#N)(CC(C(=C)C)=C)CC=C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805224 |
