John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4eMXIc4Hcwy SpectraBase Spectrum ID=IRgq0vhwBjy

(accessed ).
4-METHYL-5,8-DIOXO-6,7-DIPHENYL-2,6,7-TRIAZABICYCLO-[2.2.2]-OCT-2-ENE-3-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID 4eMXIc4Hcwy
InChI InChI=1S/C21H19N3O4/c1-3-28-17(25)16-21(2)18(26)23(14-10-6-4-7-11-14)20(22-16)24(19(21)27)15-12-8-5-9-13-15/h4-13,20H,3H2,1-2H3/t20-,21+
InChIKey MVJAHPAHLSYYFD-OYRHEFFESA-N
Mol Weight 377.4 g/mol
Molecular Formula C21H19N3O4
Exact Mass 377.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRgq0vhwBjy
Name 4-METHYL-5,8-DIOXO-6,7-DIPHENYL-2,6,7-TRIAZABICYCLO-[2.2.2]-OCT-2-ENE-3-CARBOXYLIC-ACID,ETHYLESTER
CAS Registry Number 100083-10-1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19N3O4
InChI InChI=1S/C21H19N3O4/c1-3-28-17(25)16-21(2)18(26)23(14-10-6-4-7-11-14)20(22-16)24(19(21)27)15-12-8-5-9-13-15/h4-13,20H,3H2,1-2H3/t20-,21+
InChIKey MVJAHPAHLSYYFD-OYRHEFFESA-N
Literature Reference Author H.GOTTHARDT,J.BLUM
Literature Reference Citation CHEM.BER.,119,1445(1986)
Literature Reference DOI 10.1002/cber.19861190502
Molecular Weight 377.400 g/mol
Solvent CDCl3
Source File Reference UWGB1414
SpectraBase Batch ID GOWjlIFlT6g