| SpectraBase Compound ID | AVcChZoC8f1 |
|---|---|
| InChI | InChI=1S/C19H21NO2/c1-4-22-19(21)13-15(2)9-5-6-10-16-14-20(3)18-12-8-7-11-17(16)18/h5-14H,4H2,1-3H3/b9-5+,10-6+,15-13+ |
| InChIKey | FMTCRHXOMWSULW-OUKXUVRDSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C19H21NO2 |
| Exact Mass | 295.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4H2OgEonzYI |
|---|---|
| Name | Ethyl (2E,4E,6E)-3-methyl-7-(1-methyl-1H-indol-3-yl)hepta-2,4,6-trienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.157228918 u |
| Formula | C19H21NO2 |
| InChI | InChI=1S/C19H21NO2/c1-4-22-19(21)13-15(2)9-5-6-10-16-14-20(3)18-12-8-7-11-17(16)18/h5-14H,4H2,1-3H3/b9-5+,10-6+,15-13+ |
| InChIKey | FMTCRHXOMWSULW-OUKXUVRDSA-N |
| SMILES | C(\C=C\(\C=C\C=C\C1=CN(C=2C=CC=CC12)C)C)(=O)OCC |