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4,4-Dimethyl-5-nitro-5-phenyl-pentan-2-one

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4,4-Dimethyl-5-nitro-5-phenyl-pentan-2-one
SpectraBase Compound ID 4gYr1yuMeVW
InChI InChI=1S/C13H17NO3/c1-10(15)9-13(2,3)12(14(16)17)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey KOOIQVHMBHVAOA-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1znq9d7KstR
Name 4,4-Dimethyl-5-nitro-5-phenyl-pentan-2-one
CAS Registry Number 128259-92-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-10(15)9-13(2,3)12(14(16)17)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey KOOIQVHMBHVAOA-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