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Methyl 4-Methylhexanoate
SpectraBase Compound ID L1TAK1UfAbg
InChI InChI=1S/C8H16O2/c1-4-7(2)5-6-8(9)10-3/h7H,4-6H2,1-3H3
InChIKey OTOLBWRSIUFKOJ-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aRMtnEZXon
Name Hexanoic acid, 4-methyl-, methyl ester
Alternate Name(s) 4-Methylhexanoic acid methyl ester Methyl 4-methylhexanoate
CAS Registry Number 2177-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-7(2)5-6-8(9)10-3/h7H,4-6H2,1-3H3
InChIKey OTOLBWRSIUFKOJ-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES C(C(CC)C)CC(OC)=O
SPLASH splash10-05g3-9000000000-93280992ae58fd680b86
Source of Spectrum EP-6631-0-0
Wiley ID 1142628