| SpectraBase Compound ID | 1tipOcIiDPT |
|---|---|
| InChI | InChI=1S/C17H14N2O3/c1-19-16(20)14-6-4-3-5-13(14)15(18-19)11-7-9-12(10-8-11)17(21)22-2/h3-10H,1-2H3 |
| InChIKey | DZNYUZNSYAVHHA-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C17H14N2O3 |
| Exact Mass | 294.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fKum2y75XL |
|---|---|
| Name | Methyl 4-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.100442316 u |
| Formula | C17H14N2O3 |
| InChI | InChI=1S/C17H14N2O3/c1-19-16(20)14-6-4-3-5-13(14)15(18-19)11-7-9-12(10-8-11)17(21)22-2/h3-10H,1-2H3 |
| InChIKey | DZNYUZNSYAVHHA-UHFFFAOYSA-N |
| Molecular Weight | 294.310 g/mol |
| SMILES | C=1C=CC2=C(C(=NN(C2=O)C)C2=CC=C(C(=O)OC)C=C2)C1 |