| SpectraBase Compound ID | IOfWwg11jXK |
|---|---|
| InChI | InChI=1S/C6H6Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h1-2H3/b4-3+ |
| InChIKey | XMUOGQHVYZDUCF-ONEGZZNKSA-N |
| Mol Weight | 301.92 g/mol |
| Molecular Formula | C6H6Br2O4 |
| Exact Mass | 299.863285 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9a0iSNsOdq7 |
|---|---|
| Name | 1,4-Dimethyl 2,3-dibromobut-2-enedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.863284669 u |
| Formula | C6H6Br2O4 |
| InChI | InChI=1S/C6H6Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h1-2H3/b4-3+ |
| InChIKey | XMUOGQHVYZDUCF-ONEGZZNKSA-N |
| Molecular Weight | 301.918 g/mol |
| SMILES | C(\C(=C\(C(OC)=O)Br)Br)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84695 |