![2-[2-(1H-Indol-3-yl)ethyl]hexahydro-1H-isoindole-1,3(2H)-dione](/api/spectrum/6bfKMZ2GpkS/structure.png?h=300&w=458 "2-[2-(1H-Indol-3-yl)ethyl]hexahydro-1H-isoindole-1,3(2H)-dione")
| SpectraBase Compound ID | DQYOF5IOS6A |
|---|---|
| InChI | InChI=1S/C18H20N2O2/c21-17-14-6-1-2-7-15(14)18(22)20(17)10-9-12-11-19-16-8-4-3-5-13(12)16/h3-5,8,11,14-15,19H,1-2,6-7,9-10H2 |
| InChIKey | AIOUTUWGMCKPBG-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C18H20N2O2 |
| Exact Mass | 296.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bfKMZ2GpkS |
|---|---|
| Name | 2-[2-(1H-Indol-3-yl)ethyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.152477890 u |
| Formula | C18H20N2O2 |
| InChI | InChI=1S/C18H20N2O2/c21-17-14-6-1-2-7-15(14)18(22)20(17)10-9-12-11-19-16-8-4-3-5-13(12)16/h3-5,8,11,14-15,19H,1-2,6-7,9-10H2 |
| InChIKey | AIOUTUWGMCKPBG-UHFFFAOYSA-N |
| SMILES | C1(=O)C2C(CCCC2)C(N1CCC=1C2=C(C=CC=C2)NC1)=O |