| SpectraBase Compound ID | 5UmTt6a5c4l |
|---|---|
| InChI | InChI=1S/C6H6Cl2O2/c1-2-3-10-6(9)5(8)4-7/h2,4H,1,3H2/b5-4+ |
| InChIKey | NFYRGBKXYQPREU-SNAWJCMRSA-N |
| Mol Weight | 181.02 g/mol |
| Molecular Formula | C6H6Cl2O2 |
| Exact Mass | 179.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LRVL6fcEOjU |
|---|---|
| Name | (E)-2,3-Dichloro-2-propenoic acid prop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.974484831 u |
| Formula | C6H6Cl2O2 |
| InChI | InChI=1S/C6H6Cl2O2/c1-2-3-10-6(9)5(8)4-7/h2,4H,1,3H2/b5-4+ |
| InChIKey | NFYRGBKXYQPREU-SNAWJCMRSA-N |
| Molecular Weight | 181.018 g/mol |
| SMILES | C(\C(=C/Cl)Cl)(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947712 |