| SpectraBase Compound ID | 2Z6xvpAD8nT |
|---|---|
| InChI | InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H |
| InChIKey | IDGVUIHZWDVXOQ-UHFFFAOYSA-N |
| Mol Weight | 262.11 g/mol |
| Molecular Formula | C12H8BrNO |
| Exact Mass | 260.978927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9wVgvBUVmd |
|---|---|
| Name | Methanone, (4-bromophenyl)-3-pyridinyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.978926881 u |
| Formula | C12H8BrNO |
| InChI | InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H |
| InChIKey | IDGVUIHZWDVXOQ-UHFFFAOYSA-N |
| Molecular Weight | 262.106 g/mol |
| SMILES | C(=O)(C1=CC=CN=C1)C1=CC=C(Br)C=C1 |