| SpectraBase Compound ID | 1Dv81asp20q |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+ |
| InChIKey | AISQNSQBYXPSBT-KQQUZDAGSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AbkOMkjDLc9 |
|---|---|
| Name | (E,E)-2,6-Octadienedioic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.089208927 u |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+ |
| InChIKey | AISQNSQBYXPSBT-KQQUZDAGSA-N |
| SMILES | C(\C=C\C(=O)OC)C\C=C\C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987079 |