| SpectraBase Compound ID | BQF0SYYub9Z |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-5(7(9)11-3)6(2)8(10)12-4/h1-4H3/b6-5- |
| InChIKey | OYJAKTNXALPBMX-WAYWQWQTSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B4mRr80NWyO |
|---|---|
| Name | (Z)-Dimethyl-2,3-dimethylbut-2-ene-dioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-5(7(9)11-3)6(2)8(10)12-4/h1-4H3/b6-5- |
| InChIKey | OYJAKTNXALPBMX-WAYWQWQTSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C(=O)(\C(=C/(C(=O)OC)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953806 |