| SpectraBase Compound ID | BmsybXUTSlt |
|---|---|
| InChI | InChI=1S/C13H19BrN2O3S/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3 |
| InChIKey | SIXBRIXMOMXMEH-UHFFFAOYSA-N |
| Mol Weight | 363.27 g/mol |
| Molecular Formula | C13H19BrN2O3S |
| Exact Mass | 362.029977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Knalmxc12ER |
|---|---|
| Name | 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.029976651 u |
| Formula | C13H19BrN2O3S |
| InChI | InChI=1S/C13H19BrN2O3S/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3 |
| InChIKey | SIXBRIXMOMXMEH-UHFFFAOYSA-N |
| Molecular Weight | 363.270 g/mol |
| SMILES | CCS(N1CCN(CC=2C(=CC=C(C2)Br)O)CC1)(=O)=O |