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Benzenehexanoic acid, .beta.-oxo-.gamma.-propyl-, methyl ester

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Benzenehexanoic acid, .beta.-oxo-.gamma.-propyl-, methyl ester
SpectraBase Compound ID AwRtOmXjQLM
InChI InChI=1S/C16H22O3/c1-3-7-14(15(17)12-16(18)19-2)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3
InChIKey VLWGHJHATYHKLK-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cx8p0yjco4
Name 3-Oxo-6-phenyl-4-propyl-hexanoic acid, methyl ester
CAS Registry Number 104620-15-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-3-7-14(15(17)12-16(18)19-2)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3
InChIKey VLWGHJHATYHKLK-UHFFFAOYSA-N
Literature Reference D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported