| SpectraBase Compound ID | B4D530AVVQA |
|---|---|
| InChI | InChI=1S/C12H23ClO2/c1-4-11(5-2)7-6-10(3)15-12(14)8-9-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | ZKFRKWVWVLCKMS-UHFFFAOYSA-N |
| Mol Weight | 234.77 g/mol |
| Molecular Formula | C12H23ClO2 |
| Exact Mass | 234.138658 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5m5COHj0wcU |
|---|---|
| Name | 3-Chloropropionic acid, 4-ethyl-1-methylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.138657679 u |
| Formula | C12H23ClO2 |
| InChI | InChI=1S/C12H23ClO2/c1-4-11(5-2)7-6-10(3)15-12(14)8-9-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | ZKFRKWVWVLCKMS-UHFFFAOYSA-N |
| Molecular Weight | 234.767 g/mol |
| SMILES | CCC(CCC(OC(CCCl)=O)C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.948797 |