| SpectraBase Compound ID | LqGu08NJhHI |
|---|---|
| InChI | InChI=1S/C8H12O6/c1-5(9)14-6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3 |
| InChIKey | VLIPFTBRCGDPKU-UHFFFAOYSA-N |
| Mol Weight | 204.18 g/mol |
| Molecular Formula | C8H12O6 |
| Exact Mass | 204.063388 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C4FjA5A5Y4v |
|---|---|
| Name | 2-Acetoxysuccinic acid dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.063388100 u |
| Formula | C8H12O6 |
| InChI | InChI=1S/C8H12O6/c1-5(9)14-6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3 |
| InChIKey | VLIPFTBRCGDPKU-UHFFFAOYSA-N |
| Molecular Weight | 204.178 g/mol |
| SMILES | C(C(C(=O)OC)OC(=O)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980411 |