| SpectraBase Compound ID | LqX2e8JMkXv |
|---|---|
| InChI | InChI=1S/C21H15NO2/c1-2-6-14(7-3-1)20-16-8-4-5-9-17(16)22-21(20)15-10-11-18-19(12-15)24-13-23-18/h1-12,22H,13H2 |
| InChIKey | XXGMPFNITJNBAU-UHFFFAOYSA-N |
| Mol Weight | 313.36 g/mol |
| Molecular Formula | C21H15NO2 |
| Exact Mass | 313.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWFQDXi8Bhh |
|---|---|
| Name | 1H-Indole, 2-(1,3-benzodioxol-5-yl)-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.110278725 u |
| Formula | C21H15NO2 |
| InChI | InChI=1S/C21H15NO2/c1-2-6-14(7-3-1)20-16-8-4-5-9-17(16)22-21(20)15-10-11-18-19(12-15)24-13-23-18/h1-12,22H,13H2 |
| InChIKey | XXGMPFNITJNBAU-UHFFFAOYSA-N |
| Molecular Weight | 313.356 g/mol |
| SMILES | C1=C2OCOC2=CC(=C1)C1=C(C=2C(=CC=CC2)N1)C1=CC=CC=C1 |