2,6-Diazabicyclo[2.2.2]oct-7-ene-7-carboxylic acid, 4-methyl-3,5-dioxo-2,6-diphenyl-, methyl ester

SpectraBase Compound ID	AeRfYOAyrC3
InChI	InChI=1S/C21H18N2O4/c1-21-13-16(18(24)27-2)17(22(19(21)25)14-9-5-3-6-10-14)23(20(21)26)15-11-7-4-8-12-15/h3-13,17H,1-2H3/t17-,21+
InChIKey	WHUQKVLYZFZFLY-UEDWGHLCSA-N Google Search
Mol Weight	362.39 g/mol
Molecular Formula	C21H18N2O4
Exact Mass	362.126657 g/mol

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SpectraBase Spectrum ID	26I4ys8rda5
Name	2,6-Diazabicyclo[2.2.2]oct-7-ene-7-carboxylic acid, 4-methyl-3,5-dioxo-2,6-diphenyl-, methyl ester
CAS Registry Number	103526-03-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18N2O4
InChI	InChI=1S/C21H18N2O4/c1-21-13-16(18(24)27-2)17(22(19(21)25)14-9-5-3-6-10-14)23(20(21)26)15-11-7-4-8-12-15/h3-13,17H,1-2H3/t17-,21+
InChIKey	WHUQKVLYZFZFLY-UEDWGHLCSA-N
Molecular Weight	362.385 g/mol
SMILES	[C@]12(C(N(c3ccccc3)[C@@](C(=C1)C(=O)OC)(N(C2=O)c1ccccc1)[H])=O)C
SPLASH	splash10-0006-1290000000-ec2db1984e9ae1199a71
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-carbonsaure-methylester Methyl 4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]oct-7-ene-7-carboxylate
Wiley ID	1349679