| SpectraBase Compound ID | 3LnS5G8A5qt |
|---|---|
| InChI | InChI=1S/C22H26N2O2S/c1-5-16-10-7-11-17(6-2)22(16)23-27(25,26)21-15-9-12-18-19(21)13-8-14-20(18)24(3)4/h7-15,23H,5-6H2,1-4H3 |
| InChIKey | WPDWPRSWXHCDFA-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 | Dc5WQnluhtL |
|---|---|
| Name | 2,6-Diethylaniline, 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/c1-5-16-10-7-11-17(6-2)22(16)23-27(25,26)21-15-9-12-18-19(21)13-8-14-20(18)24(3)4/h7-15,23H,5-6H2,1-4H3 |
| InChIKey | WPDWPRSWXHCDFA-UHFFFAOYSA-N |
| Molecular Weight | 382.522 g/mol |
| SMILES | C1=C(C(=C(C=C1)CC)NS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)CC |