| SpectraBase Compound ID | ADYDhrmxHiH |
|---|---|
| InChI | InChI=1S/C6H9ClO2/c1-2-3-4-9-6(8)5-7/h2-3H,4-5H2,1H3 |
| InChIKey | LDOGQJBJIGUTBQ-UHFFFAOYSA-N |
| Mol Weight | 148.59 g/mol |
| Molecular Formula | C6H9ClO2 |
| Exact Mass | 148.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LmSte9CbVU5 |
|---|---|
| Name | Chloroacetic acid, 2-butenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.029107228 u |
| Formula | C6H9ClO2 |
| InChI | InChI=1S/C6H9ClO2/c1-2-3-4-9-6(8)5-7/h2-3H,4-5H2,1H3 |
| InChIKey | LDOGQJBJIGUTBQ-UHFFFAOYSA-N |
| Molecular Weight | 148.589 g/mol |
| SMILES | C(Cl)C(OCC=CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.962814 |