| SpectraBase Compound ID | 2OSWixWlYBQ |
|---|---|
| InChI | InChI=1S/C10H17BrO3/c1-3-8(5-6-11)9(12)7-10(13)14-4-2/h8H,3-7H2,1-2H3 |
| InChIKey | VXZTXSWMBAAMJJ-UHFFFAOYSA-N |
| Mol Weight | 265.15 g/mol |
| Molecular Formula | C10H17BrO3 |
| Exact Mass | 264.036107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GGYF0lm8xvP |
|---|---|
| Name | 6-Bromo-3-oxo-4-ethylhexanoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.036107404 u |
| Formula | C10H17BrO3 |
| InChI | InChI=1S/C10H17BrO3/c1-3-8(5-6-11)9(12)7-10(13)14-4-2/h8H,3-7H2,1-2H3 |
| InChIKey | VXZTXSWMBAAMJJ-UHFFFAOYSA-N |
| Molecular Weight | 265.147 g/mol |
| SMILES | C(CC(C(CCBr)CC)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840888 |