| SpectraBase Compound ID | 5ZXjwOggL8b |
|---|---|
| InChI | InChI=1S/C18H17NO2S/c1-2-3-8-15-9-7-12-18-17(15)13-14-19(18)22(20,21)16-10-5-4-6-11-16/h2,4-7,9-14H,1,3,8H2 |
| InChIKey | NQAVSFSYOYBWFB-UHFFFAOYSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C18H17NO2S |
| Exact Mass | 311.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItUbFoIsPkL |
|---|---|
| Name | 1-(Benzenesulfonyl)-4-but-3-enyl-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.097999963 u |
| Formula | C18H17NO2S |
| InChI | InChI=1S/C18H17NO2S/c1-2-3-8-15-9-7-12-18-17(15)13-14-19(18)22(20,21)16-10-5-4-6-11-16/h2,4-7,9-14H,1,3,8H2 |
| InChIKey | NQAVSFSYOYBWFB-UHFFFAOYSA-N |
| Molecular Weight | 311.399 g/mol |
| SMILES | C=1N(C=2C=CC=C(C2C1)CCC=C)S(=O)(=O)C=1C=CC=CC1 |