| SpectraBase Compound ID | IG2gXmdu1Mr |
|---|---|
| InChI | InChI=1S/C8H15ClO3/c1-11-6-7-12-8(10)4-2-3-5-9/h2-7H2,1H3 |
| InChIKey | LJYOQFVZTGKQBE-UHFFFAOYSA-N |
| Mol Weight | 194.66 g/mol |
| Molecular Formula | C8H15ClO3 |
| Exact Mass | 194.070972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | oNxTUz1366 |
|---|---|
| Name | 5-Chlorovaleric acid, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.070972040 u |
| Formula | C8H15ClO3 |
| InChI | InChI=1S/C8H15ClO3/c1-11-6-7-12-8(10)4-2-3-5-9/h2-7H2,1H3 |
| InChIKey | LJYOQFVZTGKQBE-UHFFFAOYSA-N |
| Molecular Weight | 194.658 g/mol |
| SMILES | C(OCCOC)(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993297 |