| SpectraBase Compound ID | LfQ5nmvtf7e |
|---|---|
| InChI | InChI=1S/C21H23NO/c1-2-3-5-13-19-15-18-12-8-9-14-20(18)21(23)22(19)16-17-10-6-4-7-11-17/h4,6-12,14-15H,2-3,5,13,16H2,1H3 |
| InChIKey | LVHKTRZPHMQQBR-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C21H23NO |
| Exact Mass | 305.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8UJYQbCpqa |
|---|---|
| Name | 2-Benzyl-3-pentylisoquinolin-1(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.177964364 u |
| Formula | C21H23NO |
| InChI | InChI=1S/C21H23NO/c1-2-3-5-13-19-15-18-12-8-9-14-20(18)21(23)22(19)16-17-10-6-4-7-11-17/h4,6-12,14-15H,2-3,5,13,16H2,1H3 |
| InChIKey | LVHKTRZPHMQQBR-UHFFFAOYSA-N |
| Molecular Weight | 305.421 g/mol |
| SMILES | C1(N(C(=CC=2C=CC=CC12)CCCCC)CC=1C=CC=CC1)=O |