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3,3-Dimethyl-2-nitro-5-oxo-hexanoic acid, methyl ester
SpectraBase Compound ID F1l6M19GnlF
InChI InChI=1S/C9H15NO5/c1-6(11)5-9(2,3)7(10(13)14)8(12)15-4/h7H,5H2,1-4H3
InChIKey LXOIEIQQXSMHDO-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C9H15NO5
Exact Mass 217.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCNlmGA4c3q
Name 3,3-Dimethyl-2-nitro-5-oxo-hexanoic acid, methyl ester
CAS Registry Number 128259-93-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H15NO5
InChI InChI=1S/C9H15NO5/c1-6(11)5-9(2,3)7(10(13)14)8(12)15-4/h7H,5H2,1-4H3
InChIKey LXOIEIQQXSMHDO-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