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Methyl hexanoate
SpectraBase Compound ID BNGYVwPw12C
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UvpEZeftU8
Name Methyl hexanoate
CAS Registry Number 106-70-7
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 130.099379689 u
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 130.187 g/mol
Nominal Mass 130 u
Quality 998
Retention Index 890
SMILES C(CCCCC)(OC)=O
SPLASH splash10-00dl-9000000000-d5e0f4d551e374c43dfe
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Caproic acid methyl ester Hexanoic methyl ester Methyl caproate Methyl hexoate
Technique GC/MS
Wiley ID DD2024_022453