| SpectraBase Compound ID | 9zcFCob9cRb |
|---|---|
| InChI | InChI=1S/C9H15BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | OJYFHKIKTFUMHZ-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 | 25WERcTV3EF |
|---|---|
| Name | 2-Bromoacetic acid cyclohexylmethyl 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/c10-6-9(11)12-7-8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | OJYFHKIKTFUMHZ-UHFFFAOYSA-N |
| Molecular Weight | 235.121 g/mol |
| SMILES | C(=O)(OCC1CCCCC1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953198 |