![3,3'-(1,3-Butadienylene)bis[1-methylindole]](/api/spectrum/9xLqX2LaKff/structure.png?h=300&w=458 "3,3'-(1,3-Butadienylene)bis[1-methylindole]")
| SpectraBase Compound ID | AxQS7oio6mL |
|---|---|
| InChI | InChI=1S/C22H20N2/c1-23-15-17(19-11-5-7-13-21(19)23)9-3-4-10-18-16-24(2)22-14-8-6-12-20(18)22/h3-16H,1-2H3 |
| InChIKey | GFKGTFSEVGMXDS-UHFFFAOYSA-N |
| Mol Weight | 312.42 g/mol |
| Molecular Formula | C22H20N2 |
| Exact Mass | 312.162649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xLqX2LaKff |
|---|---|
| Name | 3,3'-(1,3-Butadienylene)bis[1-methylindole] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.162648652 u |
| Formula | C22H20N2 |
| InChI | InChI=1S/C22H20N2/c1-23-15-17(19-11-5-7-13-21(19)23)9-3-4-10-18-16-24(2)22-14-8-6-12-20(18)22/h3-16H,1-2H3 |
| InChIKey | GFKGTFSEVGMXDS-UHFFFAOYSA-N |
| Molecular Weight | 312.416 g/mol |
| SMILES | C=12C=CC=CC1N(C=C2C=CC=CC=1C=2C=CC=CC2N(C1)C)C |