| SpectraBase Compound ID | 2fDmBCxFW47 |
|---|---|
| InChI | InChI=1S/C4H4Cl2O/c1-3(7)2-4(5)6/h2H,1H3 |
| InChIKey | NXDUHPYJFYSBCT-UHFFFAOYSA-N |
| Mol Weight | 138.98 g/mol |
| Molecular Formula | C4H4Cl2O |
| Exact Mass | 137.96392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9EGyWsoT37E |
|---|---|
| Name | 4,4-bis(Chloranyl)but-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.963920148 u |
| Formula | C4H4Cl2O |
| InChI | InChI=1S/C4H4Cl2O/c1-3(7)2-4(5)6/h2H,1H3 |
| InChIKey | NXDUHPYJFYSBCT-UHFFFAOYSA-N |
| SMILES | C(=C(Cl)Cl)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817937 |