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3-Methyl-4-nitro-hexanoic acid, methyl ester

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3-Methyl-4-nitro-hexanoic acid, methyl ester
SpectraBase Compound ID HSli0mfj74H
InChI InChI=1S/C8H15NO4/c1-4-7(9(11)12)6(2)5-8(10)13-3/h6-7H,4-5H2,1-3H3
InChIKey LLRLBAVHSYFBOR-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ibf895ePlGC
Name 3-Methyl-4-nitro-hexanoic acid, methyl ester
CAS Registry Number 16507-08-7
Comments AVERAGE SHIFTS FOR TWO DIASTEREOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-4-7(9(11)12)6(2)5-8(10)13-3/h6-7H,4-5H2,1-3H3
InChIKey LLRLBAVHSYFBOR-UHFFFAOYSA-N
Literature Reference K. Matsumoto, Angew. Chem. 92, 1046 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3