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(7R/S,8S/R)-4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]octane-7,8-dimethyl-dicarboxylate
SpectraBase Compound ID 4A0ic9z7GRJ
InChI InChI=1S/C23H22N2O6/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/h4-13,16-18H,1-3H3/t16?,17?,18-,23-
InChIKey YBECFJJTSKROJK-LKDUDRDXSA-N
Mol Weight 422.44 g/mol
Molecular Formula C23H22N2O6
Exact Mass 422.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dnbluz2broC
Name (7R/S,8S/R)-4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]octane-7,8-dimethyl-dicarboxylate
Alternate Name(s) (7R/S,8R/S)-4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]octane-7,8-dimethyl-dicarboxylate Dimethyl 4-methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo[2.2.2]octane-7,8-dicarboxylate
CAS Registry Number 104976-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O6
InChI InChI=1S/C23H22N2O6/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/h4-13,16-18H,1-3H3/t16?,17?,18-,23-
InChIKey YBECFJJTSKROJK-LKDUDRDXSA-N
Molecular Weight 422.437 g/mol
SMILES [C@]12(C(N(c3ccccc3)[C@](C(C1C(=O)OC)C(=O)OC)(N(C2=O)c1ccccc1)[H])=O)C
SPLASH splash10-0udi-3139000000-e2ef2b4559b9d7cf2615
Source of Spectrum K-120-114-19
Wiley ID 1378583