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2(S),4(R)-Dimethyl-5-oxo-hexanoic acid, methyl ester

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2(S),4(R)-Dimethyl-5-oxo-hexanoic acid, methyl ester
SpectraBase Compound ID 4kSm5TxrTkI
InChI InChI=1S/C9H16O3/c1-6(8(3)10)5-7(2)9(11)12-4/h6-7H,5H2,1-4H3
InChIKey WYMXWWVNBWXMLN-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lle64RUQYdD
Name 2(S),4(R)-Dimethyl-5-oxo-hexanoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(8(3)10)5-7(2)9(11)12-4/h6-7H,5H2,1-4H3
InChIKey WYMXWWVNBWXMLN-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference D. Patel, F. Vanmiddlesworth, J. Donaubauer, J. Am. Chem. Soc. 108, 4603 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3