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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmhWXuKzSKW
Name Caprylic acid methyl ester
CAS Registry Number 111-11-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 158.130679818 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 158.241 g/mol
Nominal Mass 158 u
Quality 988
Retention Index 1090
SMILES C(CCCCCCC)(OC)=O
SPLASH splash10-00di-9100000000-067e3cbff33e2b228961
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl octanoate
Technique GC/MS
Wiley ID DD2024_033476