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2,6-Diazabicyclo[2.2.2]oct-7-ene-7,8-dicarboxylic acid, 4-methyl-3,5-dioxo-2,6-diphenyl-, dimethyl ester
SpectraBase Compound ID AaRBX2qJbeL
InChI InChI=1S/C23H20N2O6/c1-23-17(20(27)31-3)16(19(26)30-2)18(24(21(23)28)14-10-6-4-7-11-14)25(22(23)29)15-12-8-5-9-13-15/h4-13,18H,1-3H3/t18-,23+
InChIKey ZPMJJBCYPMAYRB-QRTMHTFLSA-N
Mol Weight 420.42 g/mol
Molecular Formula C23H20N2O6
Exact Mass 420.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NU6PxHb2Fd
Name 2,6-Diazabicyclo[2.2.2]oct-7-ene-7,8-dicarboxylic acid, 4-methyl-3,5-dioxo-2,6-diphenyl-, dimethyl ester
CAS Registry Number 103526-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O6
InChI InChI=1S/C23H20N2O6/c1-23-17(20(27)31-3)16(19(26)30-2)18(24(21(23)28)14-10-6-4-7-11-14)25(22(23)29)15-12-8-5-9-13-15/h4-13,18H,1-3H3/t18-,23+
InChIKey ZPMJJBCYPMAYRB-QRTMHTFLSA-N
Molecular Weight 420.421 g/mol
SMILES [C@]12(C(N(c3ccccc3)[C@@](C(=C1C(=O)OC)C(=O)OC)(N(C2=O)c1ccccc1)[H])=O)C
SPLASH splash10-0v00-4693000000-c6c31405fa73e419ae48
Source of Spectrum K-119-1327-5
Synonyms 4-Methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]oct-7-en-7,8-dicarbonsaure-dimethylester Dimethyl 4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]oct-7-ene-7,8-dicarboxylate
Wiley ID 1377948