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trans-4-hydroxy-.gamma.-ionone
SpectraBase Compound ID K0VCYGrisPG
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,11-12,15H,2,7-8H2,1,3-4H3/b6-5+/t11-,12+/m0/s1
InChIKey FVCUSXRBKRDLRU-CYLBZQBVSA-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 7VK6Xv52EuN
Name trans-4-hydroxy-.gamma.-ionone
Classification Sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,11-12,15H,2,7-8H2,1,3-4H3/b6-5+/t11-,12+/m0/s1
InChIKey FVCUSXRBKRDLRU-CYLBZQBVSA-N
Molecular Weight 208.301 g/mol
Number of Peaks 30
SMILES O[C@@]1(CCC(C)(C)[C@](C1=C)(\C=C\C(C)=O)[H])[H]
SPLASH splash10-0aos-5900000000-3d6587a071c9eba11dfd
Source of Spectrum FF-22-507-15 (DOI: 10.1002/ffj.1832)
Synonyms (E)-4-((1R,5R)-5-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)but-3-en-2-one (E)-4-[(1R,5R)-5-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-buten-2-one (E)-4-[(1R,5R)-5-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one (E)-4-[(1R,5R)-2,2-dimethyl-6-methylidene-5-oxidanyl-cyclohexyl]but-3-en-2-one
Wiley ID 1775493