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3-Methoxy-4-methyl-caproic acid, methyl ester

View entire compound with spectra: 6 NMR, 1 FTIR, and 1 MS (GC)

3-Methoxy-4-methyl-caproic acid, methyl ester
SpectraBase Compound ID F9bf8iSWzJX
InChI InChI=1S/C9H18O3/c1-5-7(2)8(11-3)6-9(10)12-4/h7-8H,5-6H2,1-4H3
InChIKey LDNLOJNWRMWOED-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 LE2tOhd7hpb
Name 3-Methoxy-4-methyl-caproic acid, methyl ester
CAS Registry Number 58219-50-4
Comments LOW FIELD DIASTEREOMER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-5-7(2)8(11-3)6-9(10)12-4/h7-8H,5-6H2,1-4H3
InChIKey LDNLOJNWRMWOED-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.E. James, J.K. Stille, J. Org. Chem. 41, 1504 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3