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Cyclohexanecarboxylic acid, 3,5-dimethyl-2,4-dioxo-, methyl ester, (1.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID 4oiCL7nM0M5
InChI InChI=1S/C10H14O4/c1-5-4-7(10(13)14-3)9(12)6(2)8(5)11/h5-7H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKey XHHVSHKXLVMTNG-QYNIQEEDSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fi4YOdq0AVa
Name Cyclohexanecarboxylic acid, 3,5-dimethyl-2,4-dioxo-, methyl ester, (1.alpha.,3.alpha.,5.alpha.)-
Alternate Name(s) 3,5-Dimethyl-2,4-dioxo-1-cyclohexancarbonsaure-methylester Methyl (1S,3R,5R)-3,5-dimethyl-2,4-dioxocyclohexanecarboxylate
CAS Registry Number 101074-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-5-4-7(10(13)14-3)9(12)6(2)8(5)11/h5-7H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKey XHHVSHKXLVMTNG-QYNIQEEDSA-N
Molecular Weight 198.218 g/mol
SMILES [C@@]1(C([C@](C)(C([C@@](C1)(C)[H])=O)[H])=O)(C(=O)OC)[H]
SPLASH splash10-0a4i-9400000000-5267c13216a7f1380473
Source of Spectrum K-118-4080-2
Wiley ID 1195244