| SpectraBase Compound ID | JO6nyQLlOnp |
|---|---|
| InChI | InChI=1S/C16H12N2O3/c1-21-16(20)14-12-9-5-6-10-13(12)15(19)18(17-14)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | ISCBVJSXEOVRBE-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C16H12N2O3 |
| Exact Mass | 280.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OUGmVZuPWQ |
|---|---|
| Name | 3,4-Dihydro-4-oxo-3-phenyl-1-phthalazinecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.084792251 u |
| Formula | C16H12N2O3 |
| InChI | InChI=1S/C16H12N2O3/c1-21-16(20)14-12-9-5-6-10-13(12)15(19)18(17-14)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | ISCBVJSXEOVRBE-UHFFFAOYSA-N |
| Molecular Weight | 280.283 g/mol |
| SMILES | COC(C=1C=2C=CC=CC2C(=O)N(N1)C1=CC=CC=C1)=O |