SpectraBase Spectrum ID |
6cOJQVvGL4K |
Name |
(2E,4E)-N-(2-Methylbutyl)dodeca-2,4-dienamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
265.240564621 u |
Formula |
C17H31NO |
InChI |
InChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,4-10,15H2,1-3H3,(H,18,19)/b12-11+,14-13+ |
InChIKey |
OFOZQDMSBJOEHH-LDHFCIDVSA-N |
Molecular Weight |
265.441 g/mol |
SMILES |
C(\C=C\C=C\CCCCCCC)(=O)NCC(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980777 |