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3-Methyl-4-nitro-1,3-diphenyl-pentan-1-one
SpectraBase Compound ID 5nWh2xfHfYW
InChI InChI=1S/C18H19NO3/c1-14(19(21)22)18(2,16-11-7-4-8-12-16)13-17(20)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKey CJPPXOLKZBZSMP-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GrXRx8jXWO
Name 3-Methyl-4-nitro-1,3-diphenyl-pentan-1-one
CAS Registry Number 136344-30-4
Comments MINOR DIASTEREOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-14(19(21)22)18(2,16-11-7-4-8-12-16)13-17(20)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKey CJPPXOLKZBZSMP-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference K-H. Lui, M.P. Sammes, J. Chem. Soc. Perkin I 457 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3