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3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID KWTseuuz5lL
InChI InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b7-6+
InChIKey HEGYTNOVZBKKAI-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 74zMrv9j41m
Name 3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-
Alternate Name(s) (3E)-4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 2-Hydroxy-a-ionone (E)-4-(5-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one (E)-4-(5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one (E)-4-(2,6,6-trimethyl-5-oxidanyl-cyclohex-2-en-1-yl)but-3-en-2-one
CAS Registry Number 75800-50-9
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/h5-7,11-12,15H,8H2,1-4H3/b7-6+
InChIKey HEGYTNOVZBKKAI-VOTSOKGWSA-N
Molecular Weight 208.301 g/mol
SMILES OC1C(C(\C=C\C(=O)C)C(=CC1)C)(C)C
SPLASH splash10-0006-9800000000-1325b58d520a3a1c7547
Source of Spectrum H-61-381-0
Wiley ID 1207114