| SpectraBase Compound ID | 20f1rARlLKu |
|---|---|
| InChI | InChI=1S/C18H17NO2/c1-12-6-4-5-7-14(12)18-15-10-13(21-3)8-9-16(15)19(2)17(18)11-20/h4-11H,1-3H3 |
| InChIKey | PSMIRXOTORYSDP-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C18H17NO2 |
| Exact Mass | 279.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XyHxApTvSu |
|---|---|
| Name | 5-Methoxy-1-methyl-3-(2-methylphenyl)-1H-indole-2-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.125928789 u |
| Formula | C18H17NO2 |
| InChI | InChI=1S/C18H17NO2/c1-12-6-4-5-7-14(12)18-15-10-13(21-3)8-9-16(15)19(2)17(18)11-20/h4-11H,1-3H3 |
| InChIKey | PSMIRXOTORYSDP-UHFFFAOYSA-N |
| Molecular Weight | 279.339 g/mol |
| SMILES | C=1(N(C=2C=CC(=CC2C1C=1C(=CC=CC1)C)OC)C)C=O |