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3-Methoxy-heptanoic acid, methyl ester
SpectraBase Compound ID 5VvOILEhjFl
InChI InChI=1S/C9H18O3/c1-4-5-6-8(11-2)7-9(10)12-3/h8H,4-7H2,1-3H3
InChIKey CXNQFMYELOJOIK-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 2XjrqdthJhY
Name 3-Methoxy-heptanoic acid, methyl ester
CAS Registry Number 51664-88-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-4-5-6-8(11-2)7-9(10)12-3/h8H,4-7H2,1-3H3
InChIKey CXNQFMYELOJOIK-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