SpectraBase Spectrum ID |
6xjFYX6goqx |
Name |
oct-3-Enoylamide, N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
197.177964364 u |
Formula |
C12H23NO |
InChI |
InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,13,14)/b8-7+ |
InChIKey |
IPTDFKHAINDPBS-BQYQJAHWSA-N |
Molecular Weight |
197.322 g/mol |
SMILES |
C(NCC(C)C)(=O)C\C=C\CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929646 |