| SpectraBase Compound ID | 7X5HRydbcT8 |
|---|---|
| InChI | InChI=1S/C7H11BrO3/c8-4-7(9)11-5-6-2-1-3-10-6/h6H,1-5H2 |
| InChIKey | HONCKUXBCCXBBB-UHFFFAOYSA-N |
| Mol Weight | 223.07 g/mol |
| Molecular Formula | C7H11BrO3 |
| Exact Mass | 221.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sLaULamAgL |
|---|---|
| Name | Bromoacetic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.989157211 u |
| Formula | C7H11BrO3 |
| InChI | InChI=1S/C7H11BrO3/c8-4-7(9)11-5-6-2-1-3-10-6/h6H,1-5H2 |
| InChIKey | HONCKUXBCCXBBB-UHFFFAOYSA-N |
| Molecular Weight | 223.066 g/mol |
| SMILES | C1(OCCC1)COC(CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861386 |