| SpectraBase Compound ID | HybE8ptfr1X |
|---|---|
| InChI | InChI=1S/C12H10N2O/c1-9-2-4-10(5-3-9)12(15)11-8-13-6-7-14-11/h2-8H,1H3 |
| InChIKey | DIBLUACIGIQQDP-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C12H10N2O |
| Exact Mass | 198.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XQbK3vgcoJ |
|---|---|
| Name | (4-Methylphenyl)-(2-pyrazinyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.079312949 u |
| Formula | C12H10N2O |
| InChI | InChI=1S/C12H10N2O/c1-9-2-4-10(5-3-9)12(15)11-8-13-6-7-14-11/h2-8H,1H3 |
| InChIKey | DIBLUACIGIQQDP-UHFFFAOYSA-N |
| Molecular Weight | 198.225 g/mol |
| SMILES | C=1(C=NC=CN1)C(C=1C=CC(=CC1)C)=O |