| SpectraBase Compound ID | 8UlKUDmrsR1 |
|---|---|
| InChI | InChI=1S/C10H19ClO2/c1-3-5-9(2)8-13-10(12)6-4-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | QEFOTLKYEVNMCU-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 | 4ezOhp2PQWk |
|---|---|
| Name | 4-Chlorobutyric acid, 2-methylpentyl 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/c1-3-5-9(2)8-13-10(12)6-4-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | QEFOTLKYEVNMCU-UHFFFAOYSA-N |
| Molecular Weight | 206.713 g/mol |
| SMILES | CCCC(COC(CCCCl)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994857 |