| SpectraBase Compound ID | 9qI7rwLadbA |
|---|---|
| InChI | InChI=1S/C7H11BrO2/c8-5-7(9)10-6-3-1-2-4-6/h6H,1-5H2 |
| InChIKey | UFCFYYIOOSQDDO-UHFFFAOYSA-N |
| Mol Weight | 207.07 g/mol |
| Molecular Formula | C7H11BrO2 |
| Exact Mass | 205.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HW1YEsfzczv |
|---|---|
| Name | Bromoacetic acid, cyclopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.994242592 u |
| Formula | C7H11BrO2 |
| InChI | InChI=1S/C7H11BrO2/c8-5-7(9)10-6-3-1-2-4-6/h6H,1-5H2 |
| InChIKey | UFCFYYIOOSQDDO-UHFFFAOYSA-N |
| Molecular Weight | 207.067 g/mol |
| SMILES | C1C(CCC1)OC(CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872127 |