![3-[2'-(2''-Methoxyphenyl)ethyl]-3-methylindole](/api/spectrum/EoRHH0h693n/structure.png?h=300&w=458 "3-[2'-(2''-Methoxyphenyl)ethyl]-3-methylindole")
| SpectraBase Compound ID | 54FsbP9yhBe |
|---|---|
| InChI | InChI=1S/C17H17NO/c1-19-17-9-5-2-6-13(17)10-11-14-12-18-16-8-4-3-7-15(14)16/h2-9,12,18H,10-11H2,1H3 |
| InChIKey | LIBHQOQBFWCLRF-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 | EoRHH0h693n |
|---|---|
| Name | 3-[2'-(2''-Methoxyphenyl)ethyl]-3-methylindole |
| 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/c1-19-17-9-5-2-6-13(17)10-11-14-12-18-16-8-4-3-7-15(14)16/h2-9,12,18H,10-11H2,1H3 |
| InChIKey | LIBHQOQBFWCLRF-UHFFFAOYSA-N |
| Molecular Weight | 251.329 g/mol |
| SMILES | C=1C=C2C(CCC3=C(C=CC=C3)OC)=CNC2=CC1 |