| SpectraBase Compound ID | GXHsZpxNww5 |
|---|---|
| InChI | InChI=1S/C8H13ClO4/c1-12-5-6-13-8(11)4-2-3-7(9)10/h2-6H2,1H3 |
| InChIKey | HPPLHOKUVXUYSV-UHFFFAOYSA-N |
| Mol Weight | 208.64 g/mol |
| Molecular Formula | C8H13ClO4 |
| Exact Mass | 208.050237 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cbanemgl1n9 |
|---|---|
| Name | Glutaric acid, monochloride, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.050236595 u |
| Formula | C8H13ClO4 |
| InChI | InChI=1S/C8H13ClO4/c1-12-5-6-13-8(11)4-2-3-7(9)10/h2-6H2,1H3 |
| InChIKey | HPPLHOKUVXUYSV-UHFFFAOYSA-N |
| Molecular Weight | 208.641 g/mol |
| SMILES | COCCOC(CCCC(Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982755 |