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3,5,5-trimethyl-4-oxidanyl-4-(3-oxidanylbutyl)cyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

3,5,5-trimethyl-4-oxidanyl-4-(3-oxidanylbutyl)cyclohex-2-en-1-one
SpectraBase Compound ID CngYzna51kg
InChI InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3
InChIKey CWOFGGNDZOPNFG-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HR6tbA9E3Kw
Name 3,5,5-trimethyl-4-oxidanyl-4-(3-oxidanylbutyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3
InChIKey CWOFGGNDZOPNFG-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC(CCC1(C(=CC(CC1(C)C)=O)C)O)C
SPLASH splash10-03di-2900000000-0ef362e31c1c7d276ae4
Source of Spectrum U-1994-424-31
Synonyms 4-Hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl-1-cyclohex-2-enone 4-Hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 765830