| SpectraBase Compound ID | 8j32ZXWpY4z |
|---|---|
| InChI | InChI=1S/C25H26N2O2/c26-18-25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)16-9-17-27-23(28)21-14-7-8-15-22(21)24(27)29/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-17H2 |
| InChIKey | DJUHZWSVHUGNPF-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C25H26N2O2 |
| Exact Mass | 386.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CELiNpbo4H3 |
|---|---|
| Name | N-(4-Cyano-4-cyclohexyl-4-phenylbutyl)phthalimide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.199428083 u |
| Formula | C25H26N2O2 |
| InChI | InChI=1S/C25H26N2O2/c26-18-25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)16-9-17-27-23(28)21-14-7-8-15-22(21)24(27)29/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-17H2 |
| InChIKey | DJUHZWSVHUGNPF-UHFFFAOYSA-N |
| Molecular Weight | 386.495 g/mol |
| SMILES | C=12C=CC=CC1C(N(C2=O)CCCC(C#N)(C1CCCCC1)C=1C=CC=CC1)=O |