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3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID 2BZ8O9IhrY5
InChI InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h6-7,12,15H,5,8H2,1-4H3/b7-6+
InChIKey LXYKLYXWNYMBKQ-VOTSOKGWSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgvlWlOcech
Name 3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
Alternate Name(s) (3E)-4-(5-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (E)-4-(2,6,6-trimethyl-5-oxidanyl-cyclohexen-1-yl)but-3-en-2-one (E)-4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one (E)-4-(5-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)but-3-en-2-one 2-Hydroxy-.beta.-ionone
CAS Registry Number 69050-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h6-7,12,15H,5,8H2,1-4H3/b7-6+
InChIKey LXYKLYXWNYMBKQ-VOTSOKGWSA-N
Molecular Weight 208.301 g/mol
SMILES OC1CCC(=C(\C=C\C(C)=O)C1(C)C)C
SPLASH splash10-0006-5900000000-c81585f79a6ac0424c7f
Source of Spectrum H-61-381-0
Wiley ID 1207118