| SpectraBase Compound ID | 9tXRV711vCS |
|---|---|
| InChI | InChI=1S/C18H13N5O/c24-17-15-16(20-12-11-19-15)22-18(21-13-7-3-1-4-8-13)23(17)14-9-5-2-6-10-14/h1-12H,(H,20,21,22) |
| InChIKey | FZHGHCFKYUVEEO-UHFFFAOYSA-N |
| Mol Weight | 315.34 g/mol |
| Molecular Formula | C18H13N5O |
| Exact Mass | 315.11201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJJV26UTHOP |
|---|---|
| Name | 2-Anilino-3-phenylpteridin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.112010058 u |
| Formula | C18H13N5O |
| InChI | InChI=1S/C18H13N5O/c24-17-15-16(20-12-11-19-15)22-18(21-13-7-3-1-4-8-13)23(17)14-9-5-2-6-10-14/h1-12H,(H,20,21,22) |
| InChIKey | FZHGHCFKYUVEEO-UHFFFAOYSA-N |
| Molecular Weight | 315.336 g/mol |
| SMILES | C=1(N(C(=O)C=2C(N1)=NC=CN2)C=1C=CC=CC1)NC=1C=CC=CC1 |