| SpectraBase Compound ID | CZF2ubQZPv4 |
|---|---|
| InChI | InChI=1S/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3 |
| InChIKey | MXEVTHILFFSWOG-UHFFFAOYSA-N |
| Mol Weight | 179.01 g/mol |
| Molecular Formula | C5H7BrO2 |
| Exact Mass | 177.962942 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I4ZKM0BFfQ9 |
|---|---|
| Name | 3-Bromo-3-methyloxolan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.962942463 u |
| Formula | C5H7BrO2 |
| InChI | InChI=1S/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3 |
| InChIKey | MXEVTHILFFSWOG-UHFFFAOYSA-N |
| Molecular Weight | 179.013 g/mol |
| SMILES | C1(=O)OCCC1(Br)C |
| Spectrum/Structure Validation Score (Raman) | 0.925252 |