| SpectraBase Spectrum ID |
LlIhHiobMCg |
| Name |
2-(2,7-Dimethylocta-2,7-dienyl)malonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)12-14(5)11-9-8-10-13(3)4/h11,15H,3,6-10,12H2,1-2,4-5H3/b14-11+ |
| InChIKey |
BAYGYRXIUXDYBO-SDNWHVSQSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C=C(C)CCC\C=C\(CC(C(OCC)=O)C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986852 |
