| SpectraBase Compound ID | PO1h8lHEpl |
|---|---|
| InChI | InChI=1S/C20H18N2O2/c1-20(2,3)24-19(23)22-17-10-5-4-8-16(17)12-18(22)15-9-6-7-14(11-15)13-21/h4-12H,1-3H3 |
| InChIKey | AUICHKDLANQPBB-UHFFFAOYSA-N |
| Mol Weight | 318.38 g/mol |
| Molecular Formula | C20H18N2O2 |
| Exact Mass | 318.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GsetI5uyuPE |
|---|---|
| Name | 1-T-Butoxycarbonyl-2-(3-cyanophenyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.136827826 u |
| Formula | C20H18N2O2 |
| InChI | InChI=1S/C20H18N2O2/c1-20(2,3)24-19(23)22-17-10-5-4-8-16(17)12-18(22)15-9-6-7-14(11-15)13-21/h4-12H,1-3H3 |
| InChIKey | AUICHKDLANQPBB-UHFFFAOYSA-N |
| Molecular Weight | 318.376 g/mol |
| SMILES | C=1(N(C=2C=CC=CC2C1)C(=O)OC(C)(C)C)C=1C=C(C=CC1)C#N |