| SpectraBase Compound ID | SXfcWZ3I4q |
|---|---|
| InChI | InChI=1S/C8H13ClO3/c1-4-12-8(11)6(9)7(10)5(2)3/h5-6H,4H2,1-3H3 |
| InChIKey | AUWPEXCKPSIEIX-UHFFFAOYSA-N |
| Mol Weight | 192.64 g/mol |
| Molecular Formula | C8H13ClO3 |
| Exact Mass | 192.055322 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AK9rpAnlm1T |
|---|---|
| Name | 2-Chloro-3-keto-4-methyl-valeric acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.055321976 u |
| Formula | C8H13ClO3 |
| InChI | InChI=1S/C8H13ClO3/c1-4-12-8(11)6(9)7(10)5(2)3/h5-6H,4H2,1-3H3 |
| InChIKey | AUWPEXCKPSIEIX-UHFFFAOYSA-N |
| Molecular Weight | 192.642 g/mol |
| SMILES | C(C(=O)C(C)C)(C(=O)OCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960234 |