| SpectraBase Compound ID | ALocLdOijpK |
|---|---|
| InChI | InChI=1S/C7H11ClO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3 |
| InChIKey | QWJMKHSPITZFII-UHFFFAOYSA-N |
| Mol Weight | 194.61 g/mol |
| Molecular Formula | C7H11ClO4 |
| Exact Mass | 194.034587 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sY6HLtRy7A |
|---|---|
| Name | Pentanedioic acid, 2-chloro-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.034586530 u |
| Formula | C7H11ClO4 |
| InChI | InChI=1S/C7H11ClO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3 |
| InChIKey | QWJMKHSPITZFII-UHFFFAOYSA-N |
| Molecular Weight | 194.614 g/mol |
| SMILES | C(=O)(OC)CCC(C(=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889495 |