| SpectraBase Compound ID | 3aHusf6sDii |
|---|---|
| InChI | InChI=1S/C18H17NO/c1-13-6-8-14(9-7-13)18(20)11-10-15-12-19-17-5-3-2-4-16(15)17/h2-9,12,19H,10-11H2,1H3 |
| InChIKey | GGDCTRSZIQDZEI-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C18H17NO |
| Exact Mass | 263.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A32btsdCcDl |
|---|---|
| Name | 3-(3-(4-Methylphenyl)-3-oxopropyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.131014170 u |
| Formula | C18H17NO |
| InChI | InChI=1S/C18H17NO/c1-13-6-8-14(9-7-13)18(20)11-10-15-12-19-17-5-3-2-4-16(15)17/h2-9,12,19H,10-11H2,1H3 |
| InChIKey | GGDCTRSZIQDZEI-UHFFFAOYSA-N |
| Molecular Weight | 263.340 g/mol |
| SMILES | C=1NC2=C(C1CCC(C=1C=CC(=CC1)C)=O)C=CC=C2 |