| SpectraBase Compound ID | 9fegtxWRAiD |
|---|---|
| InChI | InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-16(19)14-9-5-4-8-13(14)12(2)17-18/h3-10H,1-2H3 |
| InChIKey | NNVAHRWXQQNMNU-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C16H14N2O |
| Exact Mass | 250.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8caSaIq0QiM |
|---|---|
| Name | 4-Methyl-2-(o-tolyl)-1(2H)-phthalazinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.110613078 u |
| Formula | C16H14N2O |
| InChI | InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-16(19)14-9-5-4-8-13(14)12(2)17-18/h3-10H,1-2H3 |
| InChIKey | NNVAHRWXQQNMNU-UHFFFAOYSA-N |
| Molecular Weight | 250.301 g/mol |
| SMILES | C1=CC=CC2=C1C(=O)N(C1=C(C)C=CC=C1)N=C2C |