| SpectraBase Compound ID | E3ifFcpbhhI |
|---|---|
| InChI | InChI=1S/C10H15BrO3/c1-4-14-10(13)9(8(3)12)6-5-7(2)11/h9H,2,4-6H2,1,3H3 |
| InChIKey | ORWCFOKRKIFPLY-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 | 7vPKBQaiAzX |
|---|---|
| Name | Ethyl 2-acetyl-5-bromohex-5-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/c1-4-14-10(13)9(8(3)12)6-5-7(2)11/h9H,2,4-6H2,1,3H3 |
| InChIKey | ORWCFOKRKIFPLY-UHFFFAOYSA-N |
| SMILES | C(CCC(C(C)=O)C(=O)OCC)(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962263 |