| SpectraBase Compound ID | 5KPr0WCLx8Y |
|---|---|
| InChI | InChI=1S/C17H19NO3/c1-10-6-7-14-15(8-10)17(21)18(16(14)20)13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14-15H,6-8H2,1-2H3 |
| InChIKey | FRLGWGSXOODHAI-UHFFFAOYSA-N |
| Mol Weight | 285.34 g/mol |
| Molecular Formula | C17H19NO3 |
| Exact Mass | 285.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0LE7RjakxZ |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-(3-acetylphenyl)hexahydro-5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.136493473 u |
| Formula | C17H19NO3 |
| InChI | InChI=1S/C17H19NO3/c1-10-6-7-14-15(8-10)17(21)18(16(14)20)13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14-15H,6-8H2,1-2H3 |
| InChIKey | FRLGWGSXOODHAI-UHFFFAOYSA-N |
| SMILES | CC1CC2C(N(C(C2CC1)=O)C=1C=C(C(=O)C)C=CC1)=O |