| SpectraBase Compound ID | 5DbPgy8DwQz |
|---|---|
| InChI | InChI=1S/C18H17NO2/c1-21-18(20)11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3 |
| InChIKey | QNIJTTNKUSMUAW-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 | LbnG8efuIKl |
|---|---|
| Name | N-Benzyl-3-indole methyl acetate |
| 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/c1-21-18(20)11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3 |
| InChIKey | QNIJTTNKUSMUAW-UHFFFAOYSA-N |
| Molecular Weight | 279.339 g/mol |
| SMILES | C=1N(C=2C(C1CC(=O)OC)=CC=CC2)CC1=CC=CC=C1 |