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4-(trans?-3-Hydroxy-2,5,6,6-tetramethyl-1-cyclohexenyl)-3E-buten-2-one
SpectraBase Compound ID 223kwHQpopS
InChI InChI=1S/C14H22O2/c1-9-8-13(16)11(3)12(14(9,4)5)7-6-10(2)15/h6-7,9,13,16H,8H2,1-5H3/b7-6+
InChIKey NQVHLRMFJIZROL-VOTSOKGWSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uiGiL2tQBv
Name 3-Buten-2-one, 4-(3-hydroxy-2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
Alternate Name(s) (3E)-4-(3-hydroxy-2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one 4-(2,5,6,6-Tetramethyl-3-hydroxy-cyclohex-1-en-1-yl)-but-3-en-2-one 4-Hydroxy-.beta.-irone (E)-4-(3-hydroxy-2,5,6,6-tetramethyl-1-cyclohexenyl)-3-buten-2-one (E)-4-(3-hydroxy-2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one (E)-4-(2,5,6,6-tetramethyl-3-oxidanyl-cyclohexen-1-yl)but-3-en-2-one
CAS Registry Number 68931-34-0
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9-8-13(16)11(3)12(14(9,4)5)7-6-10(2)15/h6-7,9,13,16H,8H2,1-5H3/b7-6+
InChIKey NQVHLRMFJIZROL-VOTSOKGWSA-N
Molecular Weight 222.328 g/mol
SMILES OC1C(=C(C(C(C1)C)(C)C)\C=C\C(=O)C)C
SPLASH splash10-0a4l-8910000000-e312db0926eb4873c435
Source of Spectrum H-61-2334-0
Wiley ID 1222822