| SpectraBase Compound ID | Ed9uo5MaW7m |
|---|---|
| InChI | InChI=1S/C9H15BrO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3 |
| InChIKey | KYIHVTGNZANTHQ-UHFFFAOYSA-N |
| Mol Weight | 235.12 g/mol |
| Molecular Formula | C9H15BrO2 |
| Exact Mass | 234.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5CgFKaQxqeQ |
|---|---|
| Name | 2-Bromopropionic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025542721 u |
| Formula | C9H15BrO2 |
| InChI | InChI=1S/C9H15BrO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3 |
| InChIKey | KYIHVTGNZANTHQ-UHFFFAOYSA-N |
| Molecular Weight | 235.121 g/mol |
| SMILES | C1(CCCCC1)OC(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973542 |