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3-Hydroxyoctanoic acid methyl ester
SpectraBase Compound ID INdaMjnKmok
InChI InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey FHWBTAQRRDZDIY-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsOoa43s7te
Name 3(R)-Hydroxy-octanoic acid, methyl ester
CAS Registry Number 78672-90-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey FHWBTAQRRDZDIY-UHFFFAOYSA-N
Instrument Name SF = 250 MHz
Literature Reference S.L. Schreiber, S.E. Kelly, J.A.Porco, J. Am. Chem. Soc. 110, 6210 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3