| SpectraBase Compound ID | LSp9Z4ThNQ2 |
|---|---|
| InChI | InChI=1S/C22H26N2O2S/c1-4-5-8-17-13-15-18(16-14-17)23-27(25,26)22-12-7-9-19-20(22)10-6-11-21(19)24(2)3/h6-7,9-16,23H,4-5,8H2,1-3H3 |
| InChIKey | DLKOQXVNDAKQLF-UHFFFAOYSA-N |
| Mol Weight | 382.52 g/mol |
| Molecular Formula | C22H26N2O2S |
| Exact Mass | 382.171499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ik3sUxOqQ5T |
|---|---|
| Name | 4-Butylaniline, N-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.171499257 u |
| Formula | C22H26N2O2S |
| InChI | InChI=1S/C22H26N2O2S/c1-4-5-8-17-13-15-18(16-14-17)23-27(25,26)22-12-7-9-19-20(22)10-6-11-21(19)24(2)3/h6-7,9-16,23H,4-5,8H2,1-3H3 |
| InChIKey | DLKOQXVNDAKQLF-UHFFFAOYSA-N |
| Molecular Weight | 382.522 g/mol |
| SMILES | C(CCC)C1=CC=C(C=C1)NS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O |