| SpectraBase Compound ID | JqZRbUMk509 |
|---|---|
| InChI | InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3 |
| InChIKey | JCCNEBIRCTWQEL-UHFFFAOYSA-N |
| Mol Weight | 302.42 g/mol |
| Molecular Formula | C21H22N2 |
| Exact Mass | 302.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HzjRxRCij4 |
|---|---|
| Name | 1H-Indole, 1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.178298716 u |
| Formula | C21H22N2 |
| InChI | InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3 |
| InChIKey | JCCNEBIRCTWQEL-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)N(C=C2C1=CCN(CC1)C)CC1=CC=CC=C1 |