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4-METHYL-2,6-DIPHENYL-2,6,7-TRIAZABICYCLO-[2.2.2]-OCTANE-3,5,8-TRIONE
SpectraBase Compound ID HQ5831U0POk
InChI InChI=1S/C18H15N3O3/c1-18-14(22)19-17(20(15(18)23)12-8-4-2-5-9-12)21(16(18)24)13-10-6-3-7-11-13/h2-11,17H,1H3,(H,19,22)/t17-,18+
InChIKey BTXUIGDXUIHDQW-HDICACEKSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H15N3O3
Exact Mass 321.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Drhy3sL3DAM
Name 4-Methyl-2,6-diphenyl-2,6,7-triazabicyclo[2.2.2]octan-3,5,8-trion
Alternate Name(s) 4-Methyl-2,6-diphenyl-2,6,7-triazabicyclo[2.2.2]octane-3,5,8-trione
CAS Registry Number 100083-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O3
InChI InChI=1S/C18H15N3O3/c1-18-14(22)19-17(20(15(18)23)12-8-4-2-5-9-12)21(16(18)24)13-10-6-3-7-11-13/h2-11,17H,1H3,(H,19,22)/t17-,18+
InChIKey BTXUIGDXUIHDQW-HDICACEKSA-N
Molecular Weight 321.336 g/mol
SMILES N1C([C@@]2(C(N([C@]1(N(C2=O)c1ccccc1)[H])c1ccccc1)=O)C)=O
SPLASH splash10-0006-9000000000-f42417e875aa4856ddca
Source of Spectrum K-119-1453-9
Wiley ID 1320925