| SpectraBase Compound ID | DWsfzhzB94C |
|---|---|
| InChI | InChI=1S/C17H28N2O3S/c1-15-9-11-17(12-10-15)23(21,22)19-14-8-6-4-3-5-7-13-18-16(2)20/h9-12,19H,3-8,13-14H2,1-2H3,(H,18,20) |
| InChIKey | AEKDQGDHGZCPBW-UHFFFAOYSA-N |
| Mol Weight | 340.48 g/mol |
| Molecular Formula | C17H28N2O3S |
| Exact Mass | 340.182064 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 | K6a9tp25DTX |
|---|---|
| Name | N-Acetyl-N'-tosyl-1,8-diaminooctane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.182063941 u |
| Formula | C17H28N2O3S |
| InChI | InChI=1S/C17H28N2O3S/c1-15-9-11-17(12-10-15)23(21,22)19-14-8-6-4-3-5-7-13-18-16(2)20/h9-12,19H,3-8,13-14H2,1-2H3,(H,18,20) |
| InChIKey | AEKDQGDHGZCPBW-UHFFFAOYSA-N |
| Molecular Weight | 340.482 g/mol |
| SMILES | C(NS(C1=CC=C(C)C=C1)(=O)=O)CCCCCCCNC(C)=O |