| SpectraBase Compound ID | BHrDWTyO470 |
|---|---|
| InChI | InChI=1S/C8H13ClO2/c1-8(2,3)7(10)11-6-4-5-9/h4-5H,6H2,1-3H3/b5-4+ |
| InChIKey | HEINMRDBMAQWSG-SNAWJCMRSA-N |
| Mol Weight | 176.64 g/mol |
| Molecular Formula | C8H13ClO2 |
| Exact Mass | 176.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1YjzGMH63QT |
|---|---|
| Name | 2,2-Dimethylpropanoic 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 | 176.060407357 u |
| Formula | C8H13ClO2 |
| InChI | InChI=1S/C8H13ClO2/c1-8(2,3)7(10)11-6-4-5-9/h4-5H,6H2,1-3H3/b5-4+ |
| InChIKey | HEINMRDBMAQWSG-SNAWJCMRSA-N |
| Molecular Weight | 176.643 g/mol |
| SMILES | C(C(=O)OC\C=C\Cl)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930698 |