| SpectraBase Compound ID | Lxnv8j3SXUc |
|---|---|
| InChI | InChI=1S/C11H21ClO2/c1-2-3-4-7-10-14-11(13)8-5-6-9-12/h2-10H2,1H3 |
| InChIKey | ZFVGXJLTIIOCHW-UHFFFAOYSA-N |
| Mol Weight | 220.74 g/mol |
| Molecular Formula | C11H21ClO2 |
| Exact Mass | 220.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BxyeAaVzTvM |
|---|---|
| Name | 5-Chlorovaleric acid, hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.123007614 u |
| Formula | C11H21ClO2 |
| InChI | InChI=1S/C11H21ClO2/c1-2-3-4-7-10-14-11(13)8-5-6-9-12/h2-10H2,1H3 |
| InChIKey | ZFVGXJLTIIOCHW-UHFFFAOYSA-N |
| Molecular Weight | 220.740 g/mol |
| SMILES | C(=O)(OCCCCCC)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925238 |