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trans-4-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-3-buten-2-one
SpectraBase Compound ID TthSZzD5db
InChI InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
InChIKey UWWCASOGCPOGJP-BQYQJAHWSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BMgXoCL1eo
Name (3E)-4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one
CAS Registry Number 1203-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
InChIKey UWWCASOGCPOGJP-BQYQJAHWSA-N
Molecular Weight 190.286 g/mol
SMILES C=1C(=C(C(CC1)(C)C)\C=C\C(=O)C)C
SPLASH splash10-0006-9600000000-9f54446e88c3e8c304f3
Synonyms 3,4-Dehydro-.beta.-ionone (E)-4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-3-buten-2-one (E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one
Wiley ID 1475513