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3,3-Dimethyl-4-nitro-1-phenyl-butan-1-one

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3,3-Dimethyl-4-nitro-1-phenyl-butan-1-one
SpectraBase Compound ID 8VhyVX1dBB1
InChI InChI=1S/C12H15NO3/c1-12(2,9-13(15)16)8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey IHAQDHPRODCVMK-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2E09nMFqbF
Name 3,3-Dimethyl-4-nitro-1-phenyl-butan-1-one
CAS Registry Number 128259-94-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-12(2,9-13(15)16)8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey IHAQDHPRODCVMK-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