| SpectraBase Spectrum ID |
zgL88TvgnO |
| Name |
(2Z,6E)-2,6-Dimethylocta-2,6-dienedioic acid dimethyl 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/c1-9(8-11(13)15-3)6-5-7-10(2)12(14)16-4/h7-8H,5-6H2,1-4H3/b9-8+,10-7- |
| InChIKey |
MQDWNAHPSPJNIU-AZRUORMVSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(\C(=C/CC\C(=C\C(=O)OC)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819603 |
