| SpectraBase Compound ID | gp1lfkfBND |
|---|---|
| InChI | InChI=1S/C16H12BrNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2 |
| InChIKey | BQCRUIDKXQZWMN-UHFFFAOYSA-N |
| Mol Weight | 314.18 g/mol |
| Molecular Formula | C16H12BrNO |
| Exact Mass | 313.010227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iYyKhqNk7a |
|---|---|
| Name | 1-(4-Bromobenzyl)-1H-indole-3-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.010227009 u |
| Formula | C16H12BrNO |
| InChI | InChI=1S/C16H12BrNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2 |
| InChIKey | BQCRUIDKXQZWMN-UHFFFAOYSA-N |
| Molecular Weight | 314.182 g/mol |
| SMILES | C=1C=CC2=C(N(C=C2C=O)CC=2C=CC(=CC2)Br)C1 |