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Methyl octanoate

View entire compound with spectra: 22 NMR, 10 FTIR, 1 Raman, and 55 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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LoOByHW1PVi
Name Methyl octanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 260673
CAS Registry Number 111-11-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Caprylic acid methyl ester; Methyl caprylate
Wiley ID SIAL_1HNMR_004608