| SpectraBase Compound ID | 8X1divaNTTf |
|---|---|
| InChI | InChI=1S/C8H12Br2O4/c1-13-7(11)3-5(9)6(10)4-8(12)14-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | PENIDHFJRAEXGA-UHFFFAOYSA-N |
| Mol Weight | 331.99 g/mol |
| Molecular Formula | C8H12Br2O4 |
| Exact Mass | 329.910235 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2SZaFgLLOpJ |
|---|---|
| Name | Dimethyl 3,4-dibromoadipate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.910234862 u |
| Formula | C8H12Br2O4 |
| InChI | InChI=1S/C8H12Br2O4/c1-13-7(11)3-5(9)6(10)4-8(12)14-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | PENIDHFJRAEXGA-UHFFFAOYSA-N |
| Molecular Weight | 331.988 g/mol |
| SMILES | C(=O)(OC)CC(Br)C(CC(OC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981965 |