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2-Methyl-2-ethyl-hexanoic acid

View entire compound with spectra: 6 NMR, 2 FTIR, and 2 MS (GC)

2-Methyl-2-ethyl-hexanoic acid
SpectraBase Compound ID 5Ubqu0SkW4W
InChI InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKey LYIMSMCQBKXQDK-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74XvUQeNoF1
Name 2-Methyl-2-ethyl-hexanoic acid
CAS Registry Number 1185-29-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKey LYIMSMCQBKXQDK-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference Y. Souma, H. Sano, J. Iyoda, J. Org. Chem. 38, 2016 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4