SpectraBase Spectrum ID |
3fvdTyptFHs |
Name |
4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
176.131348523 u |
Formula |
C11H16N2 |
InChI |
InChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,11H,1-4H3/b13-6+ |
InChIKey |
UTQFPQWHBTXFSA-AWNIVKPZSA-N |
Molecular Weight |
176.263 g/mol |
SMILES |
CC(=CC(\N=C\C=C(C)C)C#N)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982998 |