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Heptanoic acid, 2,2-dimethyl-6-oxo-, methyl ester
SpectraBase Compound ID G1Tomg1JfkD
InChI InChI=1S/C10H18O3/c1-8(11)6-5-7-10(2,3)9(12)13-4/h5-7H2,1-4H3
InChIKey WMAHWHYQGFDCIQ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnfBU0Pqx5X
Name Heptanoic acid, 2,2-dimethyl-6-oxo-, methyl ester
CAS Registry Number 926-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-8(11)6-5-7-10(2,3)9(12)13-4/h5-7H2,1-4H3
InChIKey WMAHWHYQGFDCIQ-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(C(CCCC(=O)C)(C)C)(=O)OC
SPLASH splash10-0fr6-9400000000-cb03db985c69d3749690
Synonyms Methyl 2,2-dimethyl-6-oxoheptanoate 2,2-Dimethyl-6-oxoheptanoic acid methyl ester 6-keto-2,2-dimethyl-enanthic acid methyl ester Methyl 2,2-dimethyl-6-oxidanylidene-heptanoate Methyl ester of 2,2-Dimethyl-6-oxoheptanoic acid
Wiley ID 1488431