| SpectraBase Compound ID | CM3ZaSalRUW |
|---|---|
| InChI | InChI=1S/C9H8BrClO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5-6H2 |
| InChIKey | FPXPQMPVTPQDJP-UHFFFAOYSA-N |
| Mol Weight | 247.52 g/mol |
| Molecular Formula | C9H8BrClO |
| Exact Mass | 245.944706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Fr4zmxavsn |
|---|---|
| Name | 1-(2-Bromophenyl)-3-chloro-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.944705577 u |
| Formula | C9H8BrClO |
| InChI | InChI=1S/C9H8BrClO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5-6H2 |
| InChIKey | FPXPQMPVTPQDJP-UHFFFAOYSA-N |
| Molecular Weight | 247.519 g/mol |
| SMILES | C=1(C(=O)CCCl)C(Br)=CC=CC1 |