| SpectraBase Compound ID | ANkr6tXUjdb |
|---|---|
| InChI | InChI=1S/C10H15BrO3/c1-4-6-7-8(12)10(3,11)9(13)14-5-2/h4H,1,5-7H2,2-3H3 |
| InChIKey | KZMPAKWKNQZWHJ-UHFFFAOYSA-N |
| Mol Weight | 263.13 g/mol |
| Molecular Formula | C10H15BrO3 |
| Exact Mass | 262.020457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F92P609Qtj8 |
|---|---|
| Name | Ethyl 2-bromo-2-methyl-3-oxohept-6-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.020457340 u |
| Formula | C10H15BrO3 |
| InChI | InChI=1S/C10H15BrO3/c1-4-6-7-8(12)10(3,11)9(13)14-5-2/h4H,1,5-7H2,2-3H3 |
| InChIKey | KZMPAKWKNQZWHJ-UHFFFAOYSA-N |
| SMILES | C(CC=C)C(C(C(=O)OCC)(Br)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909153 |