![1-[4-(2-Pyridinylmethyl)phenyl]ethanone](/api/spectrum/4YI3653knU4/structure.png?h=300&w=458 "1-[4-(2-Pyridinylmethyl)phenyl]ethanone")
| SpectraBase Compound ID | 5CJOflc8PE9 |
|---|---|
| InChI | InChI=1S/C14H13NO/c1-11(16)13-7-5-12(6-8-13)10-14-4-2-3-9-15-14/h2-9H,10H2,1H3 |
| InChIKey | KEAFRICHWMMAQE-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 | 4YI3653knU4 |
|---|---|
| Name | 1-[4-(2-Pyridinylmethyl)phenyl]ethanone |
| 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/c1-11(16)13-7-5-12(6-8-13)10-14-4-2-3-9-15-14/h2-9H,10H2,1H3 |
| InChIKey | KEAFRICHWMMAQE-UHFFFAOYSA-N |
| Molecular Weight | 211.264 g/mol |
| SMILES | C(C=1C=CC(=CC1)CC1=NC=CC=C1)(=O)C |