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Methyl 3-ethylhexanoate
SpectraBase Compound ID KGHFav2yV45
InChI InChI=1S/C9H18O2/c1-4-6-8(5-2)7-9(10)11-3/h8H,4-7H2,1-3H3
InChIKey XWOBLXFYSMSMRW-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 88dAYDMzoFF
Name Methyl 3-ethylhexanoate
Alternate Name(s) 3-Ethylhexanoic acid methyl ester Hexanoic acid, 3-ethyl-, methyl ester
CAS Registry Number 32579-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-8(5-2)7-9(10)11-3/h8H,4-7H2,1-3H3
InChIKey XWOBLXFYSMSMRW-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCC(CC)CC(=O)OC
SPLASH splash10-006x-9000000000-4c334997021550f25995
Wiley ID 1498397