| SpectraBase Compound ID | 39BQhowPN7I |
|---|---|
| InChI | InChI=1S/C14H13NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-7,10-11H,8-9H2 |
| InChIKey | VUZLPVAXOHPRLL-UHFFFAOYSA-N |
| Mol Weight | 211.26 g/mol |
| Molecular Formula | C14H13NO |
| Exact Mass | 211.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZp9SJ9YInn |
|---|---|
| Name | 1-Phenyl-3-(pyridin-3-yl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.099714042 u |
| Formula | C14H13NO |
| InChI | InChI=1S/C14H13NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-7,10-11H,8-9H2 |
| InChIKey | VUZLPVAXOHPRLL-UHFFFAOYSA-N |
| Molecular Weight | 211.264 g/mol |
| SMILES | C1(CCC(=O)C=2C=CC=CC2)=CN=CC=C1 |