| SpectraBase Compound ID | 7GUREBEhWO6 |
|---|---|
| InChI | InChI=1S/C6H11ClO2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3 |
| InChIKey | MCUHSYTVMNEJFT-UHFFFAOYSA-N |
| Mol Weight | 150.6 g/mol |
| Molecular Formula | C6H11ClO2 |
| Exact Mass | 150.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KyuNW6ckanJ |
|---|---|
| Name | Chloroacetic acid, sec-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.044757292 u |
| Formula | C6H11ClO2 |
| InChI | InChI=1S/C6H11ClO2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3 |
| InChIKey | MCUHSYTVMNEJFT-UHFFFAOYSA-N |
| SMILES | C(Cl)C(OC(CC)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976979 |