| SpectraBase Compound ID | HF2YmJFtepK |
|---|---|
| InChI | InChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17) |
| InChIKey | VZYRBVZOGGKAKY-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C15H11NO |
| Exact Mass | 221.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9k5TS3eetL0 |
|---|---|
| Name | 3-Phenyl-1(2H)-isoquinolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.084063977 u |
| Formula | C15H11NO |
| InChI | InChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17) |
| InChIKey | VZYRBVZOGGKAKY-UHFFFAOYSA-N |
| Molecular Weight | 221.259 g/mol |
| SMILES | C1(NC(=CC=2C=CC=CC12)C=1C=CC=CC1)=O |