| SpectraBase Compound ID | 5GqpVERfl3q |
|---|---|
| InChI | InChI=1S/C9H10BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2 |
| InChIKey | STJKBOMYDGMFKB-UHFFFAOYSA-N |
| Mol Weight | 249.53 g/mol |
| Molecular Formula | C9H10BrClO |
| Exact Mass | 247.960356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Hs5iGfBRyQ |
|---|---|
| Name | (-)-1-(4-bromophenyl)-3-chloropropan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.960355641 u |
| Formula | C9H10BrClO |
| InChI | InChI=1S/C9H10BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2 |
| InChIKey | STJKBOMYDGMFKB-UHFFFAOYSA-N |
| Molecular Weight | 249.535 g/mol |
| SMILES | C1(C(O)CCCl)=CC=C(C=C1)Br |