| SpectraBase Compound ID | 5SPI9hv49VQ |
|---|---|
| InChI | InChI=1S/C17H14N2O3/c1-11(20)22-13-9-7-12(8-10-13)16-14-5-3-4-6-15(14)17(21)19(2)18-16/h3-10H,1-2H3 |
| InChIKey | XVBSCNORKQGZKZ-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 | DqYX1hNFTYK |
|---|---|
| Name | 4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, acetate |
| 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/c1-11(20)22-13-9-7-12(8-10-13)16-14-5-3-4-6-15(14)17(21)19(2)18-16/h3-10H,1-2H3 |
| InChIKey | XVBSCNORKQGZKZ-UHFFFAOYSA-N |
| Molecular Weight | 294.310 g/mol |
| SMILES | C1(=NN(C(C=2C1=CC=CC2)=O)C)C1=CC=C(C=C1)OC(C)=O |