| SpectraBase Compound ID | HMwqBIxmVIo |
|---|---|
| InChI | InChI=1S/C9H17ClO2/c1-3-4-5-6-8(10)7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | KWBYXIMICKRCBL-UHFFFAOYSA-N |
| Mol Weight | 192.69 g/mol |
| Molecular Formula | C9H17ClO2 |
| Exact Mass | 192.091707 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KodMzi9hIZi |
|---|---|
| Name | 3-Chlorooctanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.091707485 u |
| Formula | C9H17ClO2 |
| InChI | InChI=1S/C9H17ClO2/c1-3-4-5-6-8(10)7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | KWBYXIMICKRCBL-UHFFFAOYSA-N |
| Molecular Weight | 192.686 g/mol |
| SMILES | CCCCCC(CC(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.950286 |