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3,6-DICHLORO-1-(4-METHYLPHENYLSULFONYL)-1H-AZEPINE-4,5-DICARBOXYLIC-ACID,DIMETHYLESTER
SpectraBase Compound ID 5FBykEj2EJF
InChI InChI=1S/C17H15Cl2NO6S/c1-10-4-6-11(7-5-10)27(23,24)20-8-12(18)14(16(21)25-2)15(13(19)9-20)17(22)26-3/h4-9H,1-3H3
InChIKey GEZAXBUDKDGAOZ-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 JE1duTb2bBZ
Name 3,6-DICHLORO-1-(4-METHYLPHENYLSULFONYL)-1H-AZEPINE-4,5-DICARBOXYLIC-ACID,DIMETHYLESTER
Compound Number 31C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15Cl2NO6S
InChI InChI=1S/C17H15Cl2NO6S/c1-10-4-6-11(7-5-10)27(23,24)20-8-12(18)14(16(21)25-2)15(13(19)9-20)17(22)26-3/h4-9H,1-3H3
InChIKey GEZAXBUDKDGAOZ-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 UWGB1541