| SpectraBase Compound ID | HdYjp1JFpPl |
|---|---|
| InChI | InChI=1S/C16H19NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h4-5,8-9,11,14,18H,1-3,6-7,10H2 |
| InChIKey | XYSOSLVMCYWGDF-UHFFFAOYSA-N |
| Mol Weight | 273.33 g/mol |
| Molecular Formula | C16H19NO3 |
| Exact Mass | 273.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QKZ5lM6ARd |
|---|---|
| Name | 2-(2-Cyclohexyl-2-hydroxy-ethyl)isoindoline-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.136493473 u |
| Formula | C16H19NO3 |
| InChI | InChI=1S/C16H19NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h4-5,8-9,11,14,18H,1-3,6-7,10H2 |
| InChIKey | XYSOSLVMCYWGDF-UHFFFAOYSA-N |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CC(C1CCCCC1)O)=O |