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3-Methyl-hexanoic acid, ethyl ester

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3-Methyl-hexanoic acid, ethyl ester
SpectraBase Compound ID BMme34LOhZB
InChI InChI=1S/C9H18O2/c1-4-6-8(3)7-9(10)11-5-2/h8H,4-7H2,1-3H3
InChIKey QQEFHYCDPYOFIH-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 2abkKGnE874
Name 3-Methyl-hexanoic acid, ethyl ester
CAS Registry Number 41692-47-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-8(3)7-9(10)11-5-2/h8H,4-7H2,1-3H3
InChIKey QQEFHYCDPYOFIH-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference V.I. Dostovalova, A.B. Terentev, Org. Magn. Resonance 21, 11 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4