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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkJwKSmyRse
Name 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 © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author H.GOTTHARDT,J.BLUM
Literature Reference Citation CHEM.BER.,119,1445(1986)
Literature Reference DOI 10.1002/cber.19861190502
Molecular Weight 321.335 g/mol
Solvent DMSO-D6
Source File Reference UWGB1415