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2-[2-(3,4-DIMETHOXYPHENYL)-3-METHYL-4-OXO-1-(TOLUENE-4-SULFONYL)-AZETIDIN-3-YL]-4-NITROISOINDOLE-1,3-DIONE

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2-[2-(3,4-DIMETHOXYPHENYL)-3-METHYL-4-OXO-1-(TOLUENE-4-SULFONYL)-AZETIDIN-3-YL]-4-NITROISOINDOLE-1,3-DIONE
SpectraBase Compound ID 339lzfmMcMU
InChI InChI=1S/C27H23N3O9S/c1-15-8-11-17(12-9-15)40(36,37)29-23(16-10-13-20(38-3)21(14-16)39-4)27(2,26(29)33)28-24(31)18-6-5-7-19(30(34)35)22(18)25(28)32/h5-14,23H,1-4H3/t23-,27+/m0/s1
InChIKey NEEHQXFUEFIOOV-WNCULLNHSA-N
Mol Weight 565.55 g/mol
Molecular Formula C27H23N3O9S
Exact Mass 565.1155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6zEyNchDqY
Name 2-[2-(3,4-DIMETHOXYPHENYL)-3-METHYL-4-OXO-1-(TOLUENE-4-SULFONYL)-AZETIDIN-3-YL]-4-NITROISOINDOLE-1,3-DIONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3O9S
InChI InChI=1S/C27H23N3O9S/c1-15-8-11-17(12-9-15)40(36,37)29-23(16-10-13-20(38-3)21(14-16)39-4)27(2,26(29)33)28-24(31)18-6-5-7-19(30(34)35)22(18)25(28)32/h5-14,23H,1-4H3/t23-,27+/m0/s1
InChIKey NEEHQXFUEFIOOV-WNCULLNHSA-N
Literature Reference Author A.JARRAHPOUR,M.ZAREI
Literature Reference Citation MOLECULES,11,49(2006)
Literature Reference DOI 10.3390/11010049
Molecular Weight 565.554 g/mol
Sample ID 46192
Solvent DMSO-D6