| SpectraBase Compound ID | 33sFC4oR1dA |
|---|---|
| InChI | InChI=1S/C12H19BrO4/c1-5-16-11(14)10(12(15)17-6-2)7-8(3)9(4)13/h8,10H,4-7H2,1-3H3 |
| InChIKey | MKYCXROKSBXSPP-UHFFFAOYSA-N |
| Mol Weight | 307.18 g/mol |
| Molecular Formula | C12H19BrO4 |
| Exact Mass | 306.046672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BjbPGXuF3JS |
|---|---|
| Name | Diethyl 2-(3-bromo-2-methylbut-3-en-1-yl)malonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.046672088 u |
| Formula | C12H19BrO4 |
| InChI | InChI=1S/C12H19BrO4/c1-5-16-11(14)10(12(15)17-6-2)7-8(3)9(4)13/h8,10H,4-7H2,1-3H3 |
| InChIKey | MKYCXROKSBXSPP-UHFFFAOYSA-N |
| SMILES | C(Br)(=C)C(CC(C(OCC)=O)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975644 |