| SpectraBase Compound ID | BFvbgc8t5f2 |
|---|---|
| InChI | InChI=1S/C7H13ClO3/c1-2-10-5-6-11-7(9)3-4-8/h2-6H2,1H3 |
| InChIKey | SBQPESKWLVDSLT-UHFFFAOYSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C7H13ClO3 |
| Exact Mass | 180.055322 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 54IMeov4aG |
|---|---|
| Name | 3-Chloropropionic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.055321976 u |
| Formula | C7H13ClO3 |
| InChI | InChI=1S/C7H13ClO3/c1-2-10-5-6-11-7(9)3-4-8/h2-6H2,1H3 |
| InChIKey | SBQPESKWLVDSLT-UHFFFAOYSA-N |
| Molecular Weight | 180.631 g/mol |
| SMILES | C(CC(=O)OCCOCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96587 |