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4,4-Dimethyl-2-(hydroxymethylene)-3-(3-methyl-2-oxo-butyl)cyclohexanone
SpectraBase Compound ID 1ypanpWzaM9
InChI InChI=1S/C14H22O3/c1-9(2)13(17)7-11-10(8-15)12(16)5-6-14(11,3)4/h8-9,11,15H,5-7H2,1-4H3/b10-8-
InChIKey ABJLSZFJMPTUFA-NTMALXAHSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnfFqhBQuvU
Name 4,4-Dimethyl-2-(hydroxymethylene)-3-(3-methyl-2-oxo-butyl)cyclohexanone
CAS Registry Number 94250-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-9(2)13(17)7-11-10(8-15)12(16)5-6-14(11,3)4/h8-9,11,15H,5-7H2,1-4H3/b10-8-
InChIKey ABJLSZFJMPTUFA-NTMALXAHSA-N
Molecular Weight 238.327 g/mol
SMILES O\C=C\1C(CC(=O)C(C)C)C(C)(C)CCC1=O
SPLASH splash10-006x-9420000000-49df38befcefac6ec45b
Source of Spectrum J-50-446-24
Synonyms (2Z)-2-(hydroxymethylene)-4,4-dimethyl-3-(3-methyl-2-oxobutyl)cyclohexanone
Wiley ID 1240814