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3,3-Bis(trifluoromethyl)-1,4-dimethyl-6,7-diphenyl-2-oxa-6,7-diaza-bicyclo(2.2.2)octane-5,8-dione

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3,3-Bis(trifluoromethyl)-1,4-dimethyl-6,7-diphenyl-2-oxa-6,7-diaza-bicyclo(2.2.2)octane-5,8-dione
SpectraBase Compound ID Bzbm5H49tm4
InChI InChI=1S/C21H16F6N2O3/c1-17-15(30)28(13-9-5-3-6-10-13)18(2,29(16(17)31)14-11-7-4-8-12-14)32-19(17,20(22,23)24)21(25,26)27/h3-12H,1-2H3/t17-,18+
InChIKey QWAWMIVYZLUHLW-HDICACEKSA-N
Mol Weight 458.36 g/mol
Molecular Formula C21H16F6N2O3
Exact Mass 458.106511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oaOjtfdnxa
Name 3,3-Bis(trifluoromethyl)-1,4-dimethyl-6,7-diphenyl-2-oxa-6,7-diaza-bicyclo(2.2.2)octane-5,8-dione
CAS Registry Number 96807-30-6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H16F6N2O3
InChI InChI=1S/C21H16F6N2O3/c1-17-15(30)28(13-9-5-3-6-10-13)18(2,29(16(17)31)14-11-7-4-8-12-14)32-19(17,20(22,23)24)21(25,26)27/h3-12H,1-2H3/t17-,18+
InChIKey QWAWMIVYZLUHLW-HDICACEKSA-N
Literature Reference H. Gotthardt, K.H. Schenk, Angew. Chem. 97, 604 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3