| SpectraBase Compound ID | 89WotedYDvq |
|---|---|
| InChI | InChI=1S/C4H4Br2O/c1-3(6)4(7)2-5/h1-2H2 |
| InChIKey | ORIFCXMGTYVGBN-UHFFFAOYSA-N |
| Mol Weight | 227.88 g/mol |
| Molecular Formula | C4H4Br2O |
| Exact Mass | 225.862891 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GTSMYZrfHbK |
|---|---|
| Name | 1,3-Dibromo-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.862890748 u |
| Formula | C4H4Br2O |
| InChI | InChI=1S/C4H4Br2O/c1-3(6)4(7)2-5/h1-2H2 |
| InChIKey | ORIFCXMGTYVGBN-UHFFFAOYSA-N |
| Molecular Weight | 227.883 g/mol |
| SMILES | C(=C)(C(=O)CBr)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934799 |