| SpectraBase Compound ID | 55qxF2PTTeF |
|---|---|
| InChI | InChI=1S/C16H26N2O4S.C2H2O4/c1-4-22-16-12-14(6-7-15(16)21-3)13-17-8-10-18(11-9-17)23(19,20)5-2;3-1(4)2(5)6/h6-7,12H,4-5,8-11,13H2,1-3H3;(H,3,4)(H,5,6) |
| InChIKey | ZSWUECIQUKTFLH-UHFFFAOYSA-N |
| Mol Weight | 432.49 g/mol |
| Molecular Formula | C18H28N2O8S |
| Exact Mass | 432.156637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LejW42W2B4r |
|---|---|
| Name | 1-(3-Ethoxy-4-methoxybenzyl)-4-(ethylsulfonyl)piperazine oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.156637036 u |
| Formula | C18H28N2O8S |
| InChI | InChI=1S/C16H26N2O4S.C2H2O4/c1-4-22-16-12-14(6-7-15(16)21-3)13-17-8-10-18(11-9-17)23(19,20)5-2;3-1(4)2(5)6/h6-7,12H,4-5,8-11,13H2,1-3H3;(H,3,4)(H,5,6) |
| InChIKey | ZSWUECIQUKTFLH-UHFFFAOYSA-N |
| Molecular Weight | 432.488 g/mol |
| SMILES | OC(C(O)=O)=O.CCOC1=CC(CN2CCN(S(=O)(=O)CC)CC2)=CC=C1OC |