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Benzenesulfonic acid, 4-methoxy-, 2-ethoxy-4-(4-morpholinylcarbonothioyl)phenyl ester
SpectraBase Compound ID 4bkRMR800hd
InChI InChI=1S/C20H23NO6S2/c1-3-26-19-14-15(20(28)21-10-12-25-13-11-21)4-9-18(19)27-29(22,23)17-7-5-16(24-2)6-8-17/h4-9,14H,3,10-13H2,1-2H3
InChIKey DMHBDVYYGXBBEL-UHFFFAOYSA-N
Mol Weight 437.53 g/mol
Molecular Formula C20H23NO6S2
Exact Mass 437.09668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6OUmChb2jm
Name Benzenesulfonic acid, 4-methoxy-, 2-ethoxy-4-(4-morpholinylcarbonothioyl)phenyl ester
Alternate Name(s) 4-Methoxybenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzenesulfonate
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Formula C20H23NO6S2
InChI InChI=1S/C20H23NO6S2/c1-3-26-19-14-15(20(28)21-10-12-25-13-11-21)4-9-18(19)27-29(22,23)17-7-5-16(24-2)6-8-17/h4-9,14H,3,10-13H2,1-2H3
InChIKey DMHBDVYYGXBBEL-UHFFFAOYSA-N
Molecular Weight 437.525 g/mol
SMILES CCOc1c(OS(c2ccc(cc2)OC)(=O)=O)ccc(C(N2CCOCC2)=S)c1
SPLASH splash10-014r-2690500000-e64066d073fbee211f58
Source of Spectrum IY-1-4603-5
Wiley ID 1654018