| SpectraBase Compound ID | 2xdAJ925iR3 |
|---|---|
| InChI | InChI=1S/C7H7BrO2/c1-5-2-6(9)3-7(4-8)10-5/h2-3H,4H2,1H3 |
| InChIKey | SXGOWNPJSBNJJR-UHFFFAOYSA-N |
| Mol Weight | 203.03 g/mol |
| Molecular Formula | C7H7BrO2 |
| Exact Mass | 201.962942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1uBsT7X6d3 |
|---|---|
| Name | 4H-Pyran-4-one, 2-(bromomethyl)-6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.962942463 u |
| Formula | C7H7BrO2 |
| InChI | InChI=1S/C7H7BrO2/c1-5-2-6(9)3-7(4-8)10-5/h2-3H,4H2,1H3 |
| InChIKey | SXGOWNPJSBNJJR-UHFFFAOYSA-N |
| Molecular Weight | 203.035 g/mol |
| SMILES | C1=C(OC(=CC1=O)CBr)C |