| SpectraBase Compound ID | LQRH9MycDNk |
|---|---|
| InChI | InChI=1S/C9H17ClO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3 |
| InChIKey | CKKHJCOIGGVMAZ-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 | 6kucSXtpuD2 |
|---|---|
| Name | 2-Chloropropionic acid, hexyl 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/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3 |
| InChIKey | CKKHJCOIGGVMAZ-UHFFFAOYSA-N |
| Molecular Weight | 192.686 g/mol |
| SMILES | CC(C(OCCCCCC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.977196 |