| SpectraBase Compound ID | 8fIWH87Gfgw |
|---|---|
| InChI | InChI=1S/C16H19NO3S/c1-20-16-9-7-15(8-10-16)17-11-12-21(18,19)13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3 |
| InChIKey | MPFIDMAKHWAGPU-UHFFFAOYSA-N |
| Mol Weight | 305.39 g/mol |
| Molecular Formula | C16H19NO3S |
| Exact Mass | 305.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vtZt2BDfuS |
|---|---|
| Name | 4-Methoxy-N-(2-benzylsulfonylethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.108564647 u |
| Formula | C16H19NO3S |
| InChI | InChI=1S/C16H19NO3S/c1-20-16-9-7-15(8-10-16)17-11-12-21(18,19)13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3 |
| InChIKey | MPFIDMAKHWAGPU-UHFFFAOYSA-N |
| Molecular Weight | 305.392 g/mol |
| SMILES | C=1(NCCS(=O)(=O)CC=2C=CC=CC2)C=CC(=CC1)OC |