SpectraBase Spectrum ID |
KnVkH1y6zI6 |
Name |
(2Z,4Z,6Z)-7-(Diethylamino)hepta-2,4,6-trienenitrile |
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/c1-3-13(4-2)11-9-7-5-6-8-10-12/h5-9,11H,3-4H2,1-2H3/b7-5-,8-6-,11-9- |
InChIKey |
NUSOAHACLHIHJE-LJTOGPOVSA-N |
Molecular Weight |
176.263 g/mol |
SMILES |
C(#N)\C=C/C=C\C=C/N(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840691 |