| SpectraBase Compound ID | AtxD7ArAR6S |
|---|---|
| InChI | InChI=1S/C22H26N2O2S/c1-22(2,3)16-12-14-17(15-13-16)23-27(25,26)21-11-7-8-18-19(21)9-6-10-20(18)24(4)5/h6-15,23H,1-5H3 |
| InChIKey | NMHRDCSZEZVBFA-UHFFFAOYSA-N |
| Mol Weight | 382.52 g/mol |
| Molecular Formula | C22H26N2O2S |
| Exact Mass | 382.171499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2x4sl3BnLMG |
|---|---|
| Name | 4-Tert-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/c1-22(2,3)16-12-14-17(15-13-16)23-27(25,26)21-11-7-8-18-19(21)9-6-10-20(18)24(4)5/h6-15,23H,1-5H3 |
| InChIKey | NMHRDCSZEZVBFA-UHFFFAOYSA-N |
| Molecular Weight | 382.522 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)NS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O |