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3',5'-BIS-O-(4-CHLOROBENZOYL)-2'-S-METHYL-2'-THIOURIDINE

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3',5'-BIS-O-(4-CHLOROBENZOYL)-2'-S-METHYL-2'-THIOURIDINE
SpectraBase Compound ID IxuCV1D3nVB
InChI InChI=1S/C24H20Cl2N2O7S/c1-36-20-19(35-23(31)14-4-8-16(26)9-5-14)17(12-33-22(30)13-2-6-15(25)7-3-13)34-21(20)28-11-10-18(29)27-24(28)32/h2-11,17,19-21H,12H2,1H3,(H,27,29,32)/t17-,19-,20-,21-/m0/s1
InChIKey MFDWSRMKXCUDGT-VMXMFDLUSA-N
Mol Weight 551.4 g/mol
Molecular Formula C24H20Cl2N2O7S
Exact Mass 550.036828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlD3ByFQIXz
Name 3',5'-BIS-O-(4-CHLOROBENZOYL)-2'-S-METHYL-2'-THIOURIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20Cl2N2O7S
InChI InChI=1S/C24H20Cl2N2O7S/c1-36-20-19(35-23(31)14-4-8-16(26)9-5-14)17(12-33-22(30)13-2-6-15(25)7-3-13)34-21(20)28-11-10-18(29)27-24(28)32/h2-11,17,19-21H,12H2,1H3,(H,27,29,32)/t17-,19-,20-,21-/m0/s1
InChIKey MFDWSRMKXCUDGT-VMXMFDLUSA-N
Literature Reference Author M.J.ROBINS,K.B.MULLAH,S.F.WNUK,N.K.DALLEY
Literature Reference Citation J.ORG.CHEM.,57,2357(1992)
Literature Reference DOI 10.1021/jo00034a031
Molecular Weight 551.398 g/mol
Solvent DMSO-D6
Source File Reference UWCS1444