| SpectraBase Compound ID | JrvFhM72GWI |
|---|---|
| InChI | InChI=1S/C21H28N2O4S.C2H2O4/c1-3-28(24,25)23-13-11-22(12-14-23)16-19-9-10-20(21(15-19)26-2)27-17-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | XMUBWMSCWQOOJU-UHFFFAOYSA-N |
| Mol Weight | 494.56 g/mol |
| Molecular Formula | C23H30N2O8S |
| Exact Mass | 494.172287 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 | AONSSRCIEYC |
|---|---|
| Name | 1-(4-(Benzyloxy)-3-methoxybenzyl)-4-(ethylsulfonyl)piperazine oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.172287100 u |
| Formula | C23H30N2O8S |
| InChI | InChI=1S/C21H28N2O4S.C2H2O4/c1-3-28(24,25)23-13-11-22(12-14-23)16-19-9-10-20(21(15-19)26-2)27-17-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | XMUBWMSCWQOOJU-UHFFFAOYSA-N |
| Molecular Weight | 494.559 g/mol |
| SMILES | OC(C(O)=O)=O.C=1C=CC(COC2=CC=C(C=C2OC)CN2CCN(S(=O)(=O)CC)CC2)=CC1 |