| SpectraBase Compound ID | 9jwQd01B2vn |
|---|---|
| InChI | InChI=1S/C18H17NO/c1-13-12-16-10-6-7-11-17(16)18(20)19(13)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3 |
| InChIKey | QOIAIYUKRUMAPI-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C18H17NO |
| Exact Mass | 263.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERE9ub9m4W3 |
|---|---|
| Name | 2-(1-Phenylethyl)-3-methylisoquinolin-1(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.131014170 u |
| Formula | C18H17NO |
| InChI | InChI=1S/C18H17NO/c1-13-12-16-10-6-7-11-17(16)18(20)19(13)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3 |
| InChIKey | QOIAIYUKRUMAPI-UHFFFAOYSA-N |
| Molecular Weight | 263.340 g/mol |
| SMILES | C1(N(C(=CC=2C=CC=CC12)C)C(C)C=1C=CC=CC1)=O |