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Methyl 4-(2-methyl-3-oxocyclohexyl)butanoate
SpectraBase Compound ID 3Is3ZxJId9y
InChI InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3
InChIKey XQVJQVBCKBUGIL-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGVmltbMSs3
Name 4-(2-METHYL-3-OXO-CYCLOHEXYL)BUTYRIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3
InChIKey XQVJQVBCKBUGIL-UHFFFAOYSA-N
Molecular Weight 212.1407
SMILES C1(=O)C(C)C(CCCC(OC)=O)CCC1
SPLASH splash10-08fu-9400000000-88b930e5f45ebebbc8c1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany