| SpectraBase Compound ID | 6fZtVlhmMWp |
|---|---|
| InChI | InChI=1S/C17H18BrNO2/c1-2-21-17(20)16-15(11-7-9-12(18)10-8-11)13-5-3-4-6-14(13)19-16/h7-10,19H,2-6H2,1H3 |
| InChIKey | YBHQADYDVLVFSN-UHFFFAOYSA-N |
| Mol Weight | 348.24 g/mol |
| Molecular Formula | C17H18BrNO2 |
| Exact Mass | 347.052092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aHda4OEate |
|---|---|
| Name | Ethyl 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.052091822 u |
| Formula | C17H18BrNO2 |
| InChI | InChI=1S/C17H18BrNO2/c1-2-21-17(20)16-15(11-7-9-12(18)10-8-11)13-5-3-4-6-14(13)19-16/h7-10,19H,2-6H2,1H3 |
| InChIKey | YBHQADYDVLVFSN-UHFFFAOYSA-N |
| Molecular Weight | 348.240 g/mol |
| SMILES | C1CCC2=C(C1)NC(=C2C1=CC=C(C=C1)Br)C(OCC)=O |