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2,5-DICHLORO-7-(4-METHYLPHENYLSULFONYL)-7-AZABICYCLO-[4.1.0]-HEPTA-2,4-DIENE-3,4-DICARBOXYLIC-ACID,DIMETHYLESTER
SpectraBase Compound ID AnmbVjBTSxC
InChI InChI=1S/C17H15Cl2NO6S/c1-8-4-6-9(7-5-8)27(23,24)20-14-12(18)10(16(21)25-2)11(17(22)26-3)13(19)15(14)20/h4-7,14-15H,1-3H3
InChIKey BCRLBCGUHDYIAH-UHFFFAOYSA-N
Mol Weight 432.27 g/mol
Molecular Formula C17H15Cl2NO6S
Exact Mass 430.999714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Byzf8ANOojs
Name 2,5-DICHLORO-7-(4-METHYLPHENYLSULFONYL)-7-AZABICYCLO-[4.1.0]-HEPTA-2,4-DIENE-3,4-DICARBOXYLIC-ACID,DIMETHYLESTER
Compound Number 32C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15Cl2NO6S
InChI InChI=1S/C17H15Cl2NO6S/c1-8-4-6-9(7-5-8)27(23,24)20-14-12(18)10(16(21)25-2)11(17(22)26-3)13(19)15(14)20/h4-7,14-15H,1-3H3
InChIKey BCRLBCGUHDYIAH-UHFFFAOYSA-N
Literature Reference Author H.PRINZBACH,H.BINGMANN,H.FRITZ,J.MARKERT,L.KNOTHE,W.EBERBACH ,J.BROKATZKY-GEIGER,
Literature Reference Citation CHEM.BER.,119,616(1986)
Literature Reference DOI 10.1002/cber.19861190223
Molecular Weight 432.275 g/mol
Solvent ACETONE-D6
Source File Reference UWGB1542