| SpectraBase Compound ID | HxUUlHHA6OP |
|---|---|
| InChI | InChI=1S/C10H19ClO2/c1-3-4-5-6-9(2)13-10(12)7-8-11/h9H,3-8H2,1-2H3 |
| InChIKey | GOWQHLAOLVBPLR-UHFFFAOYSA-N |
| Mol Weight | 206.71 g/mol |
| Molecular Formula | C10H19ClO2 |
| Exact Mass | 206.107358 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2lZZPlHdsia |
|---|---|
| Name | 3-Chloropropionic acid, 1-methylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.107357550 u |
| Formula | C10H19ClO2 |
| InChI | InChI=1S/C10H19ClO2/c1-3-4-5-6-9(2)13-10(12)7-8-11/h9H,3-8H2,1-2H3 |
| InChIKey | GOWQHLAOLVBPLR-UHFFFAOYSA-N |
| Molecular Weight | 206.713 g/mol |
| SMILES | C(Cl)CC(OC(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.860932 |