SpectraBase Spectrum ID |
26jNxEkRcM3 |
Name |
oct-3-Enoylamide, N-hept-2-yl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.224914557 u |
Formula |
C15H29NO |
InChI |
InChI=1S/C15H29NO/c1-4-6-8-9-11-13-15(17)16-14(3)12-10-7-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3,(H,16,17)/b11-9+ |
InChIKey |
FOCSHYNDNNCCCI-PKNBQFBNSA-N |
Molecular Weight |
239.403 g/mol |
SMILES |
C(NC(CCCCC)C)(=O)C\C=C\CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992297 |