| SpectraBase Compound ID | DPVDguQTJmq |
|---|---|
| InChI | InChI=1S/C7H11ClO2/c1-5(2)7(8)4-10-6(3)9/h7H,1,4H2,2-3H3 |
| InChIKey | XBHOPQWQWYJXRY-UHFFFAOYSA-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 | Cmw3BpbkBIF |
|---|---|
| Name | 2-Chloro-3-methyl-3-butenyl acetate |
| 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/c1-5(2)7(8)4-10-6(3)9/h7H,1,4H2,2-3H3 |
| InChIKey | XBHOPQWQWYJXRY-UHFFFAOYSA-N |
| Molecular Weight | 162.616 g/mol |
| SMILES | C(C)(=O)OCC(C(=C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8755 |