| SpectraBase Compound ID | 8C1f9XwCdLC |
|---|---|
| InChI | InChI=1S/C17H14BrNO3S/c1-11-3-6-14(7-4-11)23(21,22)19-10-16(12(2)20)15-9-13(18)5-8-17(15)19/h3-10H,1-2H3 |
| InChIKey | LXJBSLYINDELGE-UHFFFAOYSA-N |
| Mol Weight | 392.27 g/mol |
| Molecular Formula | C17H14BrNO3S |
| Exact Mass | 390.987777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oL8xwPf7oQ |
|---|---|
| Name | N-Tosyl-3-acetyl-5-bromoindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.987777486 u |
| Formula | C17H14BrNO3S |
| InChI | InChI=1S/C17H14BrNO3S/c1-11-3-6-14(7-4-11)23(21,22)19-10-16(12(2)20)15-9-13(18)5-8-17(15)19/h3-10H,1-2H3 |
| InChIKey | LXJBSLYINDELGE-UHFFFAOYSA-N |
| Molecular Weight | 392.267 g/mol |
| SMILES | C=1N(C=2C=CC(=CC2C1C(=O)C)Br)S(=O)(=O)C=1C=CC(C)=CC1 |