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1,5-IMINO-1-METHYL-3-OXA-4-EXO,5-DIPHENYLCYClOHEPTAN-2-ONE-6,7-EXO-N-PHENYLDICARBOXIMIDE
SpectraBase Compound ID 79exX563nxZ
InChI InChI=1S/C27H22N2O4/c1-26-20-21(24(31)29(23(20)30)19-15-9-4-10-16-19)27(28-26,18-13-7-3-8-14-18)22(33-25(26)32)17-11-5-2-6-12-17/h2-16,20-22,28H,1H3/t20-,21+,22?,26-,27+/m0/s1
InChIKey CCSDSECGDJASCT-JCSLOYTHSA-N
Mol Weight 438.48 g/mol
Molecular Formula C27H22N2O4
Exact Mass 438.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAAoODJN2Za
Name 1,5-IMINO-1-METHYL-3-OXA-4-EXO,5-DIPHENYLCYClOHEPTAN-2-ONE-6,7-EXO-N-PHENYLDICARBOXIMIDE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22N2O4
InChI InChI=1S/C27H22N2O4/c1-26-20-21(24(31)29(23(20)30)19-15-9-4-10-16-19)27(28-26,18-13-7-3-8-14-18)22(33-25(26)32)17-11-5-2-6-12-17/h2-16,20-22,28H,1H3/t20-,21+,22?,26-,27+/m0/s1
InChIKey CCSDSECGDJASCT-JCSLOYTHSA-N
Literature Reference Author K.MONNIER,G.SCHMITT,B.LAUDE,M.F.MERCIER,M.M.KUBICKI,M.JANNIN
Literature Reference Citation CAN.J.CHEM.,73,181(1995)
Literature Reference DOI 10.1139/v95-027
Molecular Weight 438.483 g/mol
Solvent DMSO-D6
Source File Reference UWCS15491