For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl octanoate
SpectraBase Compound ID 7E2G5g3nIeB
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 54LyAzAVIBE
Name Methyl octanoate
CAS Registry Number 111-11-5
Comments SHIFTCORRECTION: +0.4 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.V. Paukstelis, E.F. Byrne, T.P. O'Connor, J. Org. Chem. 42, 3941 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3