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Methyl 3,4-Dimethylhexanoate
SpectraBase Compound ID 18T9eOER9hv
InChI InChI=1S/C9H18O2/c1-5-7(2)8(3)6-9(10)11-4/h7-8H,5-6H2,1-4H3
InChIKey PPXTYTPPRNYRMG-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 7L5BTUbmRpa
Name Methyl 3,4-Dimethylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-7(2)8(3)6-9(10)11-4/h7-8H,5-6H2,1-4H3
InChIKey PPXTYTPPRNYRMG-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(CC(C(CC)C)C)(=O)OC
SPLASH splash10-059l-9000000000-672a010ef2b3732df887
Source of Spectrum F-47-8336-4
Synonyms 3,4-Dimethylhexanoic acid methyl ester
Wiley ID 1155584