| SpectraBase Spectrum ID |
7G91nm7tMbj |
| Name |
(2E,6E)-Octa-2,6-dienedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+ |
| InChIKey |
VTZHQBVCIAKCLX-FIFLTTCUSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(\C=C\CC\C=C\C(=O)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892067 |
