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Methyl octanoate

View entire compound with spectra: 22 NMR, 10 FTIR, 1 Raman, and 54 MS (GC)

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

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIvicFUcPMG
Name OCTANOIC_ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author B.WRACKMEYER,K.VON-WERNER,F.WEHOWSKY
Literature Reference Citation J.FLUOR.CHEM.,35,359(1987)
Literature Reference DOI 10.1016/s0022-1139(00)85018-6
Solvent CDCl3
Source File Reference UHPK2211