| SpectraBase Compound ID | A1EVHapKRtz |
|---|---|
| InChI | InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2 |
| InChIKey | MDQDPTFLHWZMPT-UHFFFAOYSA-N |
| Mol Weight | 237.3 g/mol |
| Molecular Formula | C16H15NO |
| Exact Mass | 237.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEdqetTEIWh |
|---|---|
| Name | 2-Benzyl-3,4-dihydro-1(2H)-isoquinolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.115364106 u |
| Formula | C16H15NO |
| InChI | InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2 |
| InChIKey | MDQDPTFLHWZMPT-UHFFFAOYSA-N |
| Molecular Weight | 237.302 g/mol |
| SMILES | C1(N(CC=2C=CC=CC2)CCC2=C1C=CC=C2)=O |