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3-keto-2-mesityl-4,4-dimethyl-valeric acid methyl ester
SpectraBase Compound ID 56tK116QxFH
InChI InChI=1S/C17H24O3/c1-10-8-11(2)13(12(3)9-10)14(16(19)20-7)15(18)17(4,5)6/h8-9,14H,1-7H3
InChIKey PXZFYBIAFGSLEB-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt8o3hSck2Y
Name 3-keto-2-mesityl-4,4-dimethyl-valeric acid methyl ester
Alternate Name(s) 4,4-Dimethyl-3-oxo-2-(2,4,6-trimethylphenyl)pentanoic acid methyl ester Methyl 4,4-dimethyl-3-oxidanylidene-2-(2,4,6-trimethylphenyl)pentanoate Methyl 4,4-dimethyl-3-oxo-2-(2,4,6-trimethylphenyl)pentanoate
CAS Registry Number 112794-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-10-8-11(2)13(12(3)9-10)14(16(19)20-7)15(18)17(4,5)6/h8-9,14H,1-7H3
InChIKey PXZFYBIAFGSLEB-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES C(c1c(cc(cc1C)C)C)(C(C(C)(C)C)=O)C(=O)OC
SPLASH splash10-000i-0960000000-7f7edb117b2f662be8e6
Source of Spectrum K-121-1112-0
Wiley ID 1280357