| SpectraBase Compound ID | Asp3nG3ks2D |
|---|---|
| InChI | InChI=1S/C6H9ClO3/c1-5(8)4-6(9)10-3-2-7/h2-4H2,1H3 |
| InChIKey | JAEUQHNZRROYID-UHFFFAOYSA-N |
| Mol Weight | 164.59 g/mol |
| Molecular Formula | C6H9ClO3 |
| Exact Mass | 164.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DfU83yaK2jQ |
|---|---|
| Name | Butanoic acid, 3-oxo-, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.024021847 u |
| Formula | C6H9ClO3 |
| InChI | InChI=1S/C6H9ClO3/c1-5(8)4-6(9)10-3-2-7/h2-4H2,1H3 |
| InChIKey | JAEUQHNZRROYID-UHFFFAOYSA-N |
| Molecular Weight | 164.588 g/mol |
| SMILES | CC(CC(OCCCl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826421 |