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2-BENZYL-2-(PARA-NITRO)-ACETOPHENYL-5,5-DIMETHYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID 4Y0qGXTORNt
InChI InChI=1S/C23H23NO5/c1-22(2)14-20(26)23(21(27)15-22,12-16-6-4-3-5-7-16)13-19(25)17-8-10-18(11-9-17)24(28)29/h3-11H,12-15H2,1-2H3
InChIKey SEPZLTGXQOYMOP-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JWiyq9s6Hw
Name 2-Benzyl-5,5-dimethyl-2-(4-nitro-phenacyl)-cyclohexane-1,3-dione
CAS Registry Number 112404-35-0
Comments TABLE LAYOUT INCORRECT, C-M AND C-P HEADINGS SHOULD BE BELOW C-I AND C-O, RESPECTIVELY
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c1-22(2)14-20(26)23(21(27)15-22,12-16-6-4-3-5-7-16)13-19(25)17-8-10-18(11-9-17)24(28)29/h3-11H,12-15H2,1-2H3
InChIKey SEPZLTGXQOYMOP-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M.P. Sammes, P.M. Maini, Magn. Res. Chem. 25, 372 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3