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#3G;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(4-CHLOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE

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#3G;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(4-CHLOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE
SpectraBase Compound ID JAyOfNknOq3
InChI InChI=1S/C22H25ClN4O9S/c1-10(28)32-9-16-17(33-11(2)29)18(34-12(3)30)19(35-13(4)31)21(36-16)27-22(37)26(24)20(25-27)14-5-7-15(23)8-6-14/h5-8,16-19,21H,9,24H2,1-4H3/t16-,17-,18+,19-,21-/m0/s1
InChIKey ZRJSRPOXPPWVTA-UNJWAJPSSA-N
Mol Weight 556.97 g/mol
Molecular Formula C22H25ClN4O9S
Exact Mass 556.103077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4GSjLaDSxR
Name #3G;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(4-CHLOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25ClN4O9S
InChI InChI=1S/C22H25ClN4O9S/c1-10(28)32-9-16-17(33-11(2)29)18(34-12(3)30)19(35-13(4)31)21(36-16)27-22(37)26(24)20(25-27)14-5-7-15(23)8-6-14/h5-8,16-19,21H,9,24H2,1-4H3/t16-,17-,18+,19-,21-/m0/s1
InChIKey ZRJSRPOXPPWVTA-UNJWAJPSSA-N
Literature Reference Author H.NADEEM,Z.ASHRAF
Literature Reference Citation EUR.J.CHEM.,3,485(2012)
Literature Reference DOI 10.5155/eurjchem.3.4.485-492.655
Molecular Weight 556.975 g/mol
Solvent DMSO-D6
Source File Reference UWIR17899