| SpectraBase Spectrum ID |
4SImHKKW4ww |
| Name |
1,3-Heptadiene-1,2,6,6-tetracarboxylic acid, 5-(1-propenyl)-, 6,6-diethyl 1,2-dimethyl ester, (Z,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.178417854 u |
| Formula |
C20H28O8 |
| InChI |
InChI=1S/C20H28O8/c1-7-10-15(12-11-14(17(22)26-6)13-16(21)25-5)20(4,18(23)27-8-2)19(24)28-9-3/h7,10-13,15H,8-9H2,1-6H3/b10-7+,12-11+,14-13- |
| InChIKey |
VXUBEZBHFCHMSQ-VHJPFJMBSA-N |
| Molecular Weight |
396.436 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(C(\C=C\C(=C\C(=O)OC)C(=O)OC)\C=C\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956158 |
