SpectraBase Spectrum ID |
3WMYF9BE9D2 |
Name |
but-2-Enoylamide, N-(2-butyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.209264492 u |
Formula |
C14H27NO |
InChI |
InChI=1S/C14H27NO/c1-5-8-9-10-12-15(13(4)7-3)14(16)11-6-2/h6,11,13H,5,7-10,12H2,1-4H3/b11-6+ |
InChIKey |
OBWDDIFJLGJBOE-IZZDOVSWSA-N |
Molecular Weight |
225.376 g/mol |
SMILES |
C(=O)(N(CCCCCC)C(CC)C)\C=C\C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866635 |