SpectraBase Spectrum ID |
7Vey0SvUTG2 |
Name |
(2E,6E)-4-[(E)-but-2-Enyl]-N,N-diethyl-octa-2,6-dienamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.209264492 u |
Formula |
C16H27NO |
InChI |
InChI=1S/C16H27NO/c1-5-9-11-15(12-10-6-2)13-14-16(18)17(7-3)8-4/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3/b9-5+,10-6+,14-13+ |
InChIKey |
PKZWYAPRDBSUCI-WONASCPISA-N |
Molecular Weight |
249.398 g/mol |
SMILES |
C(\C=C\C(C\C=C\C)C\C=C\C)(N(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948516 |