| SpectraBase Compound ID | 9ukqgwkoAp1 |
|---|---|
| InChI | InChI=1S/C10H11BrO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3 |
| InChIKey | XMBLYMGMZVSQKM-UHFFFAOYSA-N |
| Mol Weight | 243.1 g/mol |
| Molecular Formula | C10H11BrO2 |
| Exact Mass | 241.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yhGnsoaWLe |
|---|---|
| Name | (R)-4-(4-Bromophenyl)-4-hydroxybutan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.994242592 u |
| Formula | C10H11BrO2 |
| InChI | InChI=1S/C10H11BrO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3 |
| InChIKey | XMBLYMGMZVSQKM-UHFFFAOYSA-N |
| Molecular Weight | 243.100 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)Br)O)C(=O)C |