| SpectraBase Compound ID | It2i3O8bPrR |
|---|---|
| InChI | InChI=1S/C10H19ClO2/c1-3-9(2)8-13-10(12)6-4-5-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | BQSUABCUBDEOOW-UHFFFAOYSA-N |
| Mol Weight | 206.71 g/mol |
| Molecular Formula | C10H19ClO2 |
| Exact Mass | 206.107358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3pJUfAKRSuh |
|---|---|
| Name | 5-Clorovaleric acid, 2-methylbutyl 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/c1-3-9(2)8-13-10(12)6-4-5-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | BQSUABCUBDEOOW-UHFFFAOYSA-N |
| Molecular Weight | 206.713 g/mol |
| SMILES | C(OCC(CC)C)(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992964 |