| SpectraBase Compound ID | 32v3XT0Exfz |
|---|---|
| InChI | InChI=1S/C17H17NO/c1-12-6-4-5-7-14(12)16-11-18(2)17-9-8-13(19-3)10-15(16)17/h4-11H,1-3H3 |
| InChIKey | NXRHJTOISCGUFR-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C17H17NO |
| Exact Mass | 251.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WilbL8HkKT |
|---|---|
| Name | 5-Methoxy-1-methyl-3-(2-methylphenyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.131014170 u |
| Formula | C17H17NO |
| InChI | InChI=1S/C17H17NO/c1-12-6-4-5-7-14(12)16-11-18(2)17-9-8-13(19-3)10-15(16)17/h4-11H,1-3H3 |
| InChIKey | NXRHJTOISCGUFR-UHFFFAOYSA-N |
| Molecular Weight | 251.329 g/mol |
| SMILES | C=1N(C=2C=CC(=CC2C1C=1C(=CC=CC1)C)OC)C |