| SpectraBase Spectrum ID |
EvP1YyxKalF |
| Name |
Ethyl (2E,4S)-3,4-dimethyl-2-decenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-5-7-8-9-10-12(3)13(4)11-14(15)16-6-2/h11-12H,5-10H2,1-4H3/b13-11+/t12-/m0/s1 |
| InChIKey |
QVCJIYZIUSNYEQ-OWRWYXLESA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
[C@](\C(=C\C(=O)OCC)C)(CCCCCC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972228 |
