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3-(1-isobutyryl-3-keto-4-methyl-cyclohexyl)butyric acid
SpectraBase Compound ID ENWkIxso3ok
InChI InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKey ZIOCYJNRYIRTQD-UHFFFAOYSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XLXi8old0r
Name 3-(1-isobutyryl-3-keto-4-methyl-cyclohexyl)butyric acid
CAS Registry Number 55700-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKey ZIOCYJNRYIRTQD-UHFFFAOYSA-N
Molecular Weight 268.353 g/mol
SMILES OC(CC(C1(C(=O)C(C)C)CC(=O)C(CC1)C)C)=O
SPLASH splash10-0076-7900000000-897e09ff8af4a127e4ed
Source of Spectrum KC-72-1193-99
Synonyms 3-[4-methyl-1-(2-methyl-1-oxopropyl)-3-oxocyclohexyl]butanoic acid 3-[4-methyl-1-(2-methylpropanoyl)-3-oxidanylidene-cyclohexyl]butanoic acid 3-[4-methyl-1-(2-methylpropanoyl)-3-oxo-cyclohexyl]butanoic acid
Wiley ID 1272141