| SpectraBase Compound ID | 5Hk9AlL2pmx |
|---|---|
| InChI | InChI=1S/C9H15ClO2/c1-2-3-4-6-9(11)12-8-5-7-10/h5,7H,2-4,6,8H2,1H3/b7-5+ |
| InChIKey | SYXYWMBFAHQABF-FNORWQNLSA-N |
| Mol Weight | 190.67 g/mol |
| Molecular Formula | C9H15ClO2 |
| Exact Mass | 190.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkUtIcq1jNX |
|---|---|
| Name | Hexanoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.076057421 u |
| Formula | C9H15ClO2 |
| InChI | InChI=1S/C9H15ClO2/c1-2-3-4-6-9(11)12-8-5-7-10/h5,7H,2-4,6,8H2,1H3/b7-5+ |
| InChIKey | SYXYWMBFAHQABF-FNORWQNLSA-N |
| Molecular Weight | 190.670 g/mol |
| SMILES | CCCCCC(=O)OC\C=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988471 |