| SpectraBase Compound ID | 96gBC2LyQ8v |
|---|---|
| InChI | InChI=1S/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3 |
| InChIKey | ZKEGALQDZGNQIK-UHFFFAOYSA-N |
| Mol Weight | 164.63 g/mol |
| Molecular Formula | C7H13ClO2 |
| Exact Mass | 164.060407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GrDbtpBtAWh |
|---|---|
| Name | 2-Chlorohexanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.060407357 u |
| Formula | C7H13ClO2 |
| InChI | InChI=1S/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3 |
| InChIKey | ZKEGALQDZGNQIK-UHFFFAOYSA-N |
| Molecular Weight | 164.632 g/mol |
| SMILES | C(CCC)C(C(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.973777 |