| SpectraBase Compound ID | GmoklxgTapg |
|---|---|
| InChI | InChI=1S/C17H15NO4S/c1-2-22-17(19)18-12-16(14-10-6-7-11-15(14)18)23(20,21)13-8-4-3-5-9-13/h3-12H,2H2,1H3 |
| InChIKey | HDTLBMZEYOYDPZ-UHFFFAOYSA-N |
| Mol Weight | 329.37 g/mol |
| Molecular Formula | C17H15NO4S |
| Exact Mass | 329.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hwy2W53nzA |
|---|---|
| Name | 3-Benzenesulfonylindole-1-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.072179137 u |
| Formula | C17H15NO4S |
| InChI | InChI=1S/C17H15NO4S/c1-2-22-17(19)18-12-16(14-10-6-7-11-15(14)18)23(20,21)13-8-4-3-5-9-13/h3-12H,2H2,1H3 |
| InChIKey | HDTLBMZEYOYDPZ-UHFFFAOYSA-N |
| Molecular Weight | 329.370 g/mol |
| SMILES | C1=CC=C2C(=C1)C(S(C1=CC=CC=C1)(=O)=O)=CN2C(=O)OCC |