| SpectraBase Compound ID | JJgQxi4cchq |
|---|---|
| InChI | InChI=1S/C8H11ClO4/c1-2-12-7(10)3-4-8(11)13-6-5-9/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | PHPBLWLUJWGQML-ONEGZZNKSA-N |
| Mol Weight | 206.62 g/mol |
| Molecular Formula | C8H11ClO4 |
| Exact Mass | 206.034587 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4QlTudolqZR |
|---|---|
| Name | Fumaric acid, 2-chloroethyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.034586530 u |
| Formula | C8H11ClO4 |
| InChI | InChI=1S/C8H11ClO4/c1-2-12-7(10)3-4-8(11)13-6-5-9/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | PHPBLWLUJWGQML-ONEGZZNKSA-N |
| Molecular Weight | 206.625 g/mol |
| SMILES | C(\C=C\C(OCC)=O)(OCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881498 |