| SpectraBase Compound ID | 4OYGU8rWkOp |
|---|---|
| InChI | InChI=1S/C19H21NO/c1-3-4-14-20-18(21)16-12-8-9-13-17(16)19(20,2)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | AQBKHDLPNXPMRT-UHFFFAOYSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C19H21NO |
| Exact Mass | 279.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbfmOXDOIqG |
|---|---|
| Name | 2-Butyl-3-methyl-3-phenyl-1-isoindolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.162314299 u |
| Formula | C19H21NO |
| InChI | InChI=1S/C19H21NO/c1-3-4-14-20-18(21)16-12-8-9-13-17(16)19(20,2)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | AQBKHDLPNXPMRT-UHFFFAOYSA-N |
| SMILES | C1(N(C(C=2C=CC=CC12)(C=1C=CC=CC1)C)CCCC)=O |