| SpectraBase Compound ID | IcarLB3ek08 |
|---|---|
| InChI | InChI=1S/C17H21NO2S/c1-3-4-5-15-8-10-16(11-9-15)18-21(19,20)17-12-6-14(2)7-13-17/h6-13,18H,3-5H2,1-2H3 |
| InChIKey | NITLBKFNUUZRDB-UHFFFAOYSA-N |
| Mol Weight | 303.42 g/mol |
| Molecular Formula | C17H21NO2S |
| Exact Mass | 303.1293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuXxrKZCGxf |
|---|---|
| Name | 4-Butylaniline, N-toluenesulfonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.129300092 u |
| Formula | C17H21NO2S |
| InChI | InChI=1S/C17H21NO2S/c1-3-4-5-15-8-10-16(11-9-15)18-21(19,20)17-12-6-14(2)7-13-17/h6-13,18H,3-5H2,1-2H3 |
| InChIKey | NITLBKFNUUZRDB-UHFFFAOYSA-N |
| SMILES | C(CCC)C1=CC=C(C=C1)NS(C1=CC=C(C=C1)C)(=O)=O |