| SpectraBase Compound ID | EoMb3TChcVG |
|---|---|
| InChI | InChI=1S/C7H11ClO2/c1-2-4-7(9)10-6-3-5-8/h3,5H,2,4,6H2,1H3/b5-3+ |
| InChIKey | RVCJBAWEOOBVCN-HWKANZROSA-N |
| Mol Weight | 162.62 g/mol |
| Molecular Formula | C7H11ClO2 |
| Exact Mass | 162.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BfOPm2Qaig5 |
|---|---|
| Name | Butanoic 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 | 162.044757292 u |
| Formula | C7H11ClO2 |
| InChI | InChI=1S/C7H11ClO2/c1-2-4-7(9)10-6-3-5-8/h3,5H,2,4,6H2,1H3/b5-3+ |
| InChIKey | RVCJBAWEOOBVCN-HWKANZROSA-N |
| Molecular Weight | 162.616 g/mol |
| SMILES | CCCC(=O)OC\C=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981254 |