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4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one
SpectraBase Compound ID CwnXtobm0oH
InChI InChI=1S/C13H18O/c1-10-9-13(3,4)8-7-12(10)6-5-11(2)14/h5-8H,9H2,1-4H3/b6-5+
InChIKey HYYFMTHLPBTTPM-AATRIKPKSA-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 LnoiqjjmZEL
Name 4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10-9-13(3,4)8-7-12(10)6-5-11(2)14/h5-8H,9H2,1-4H3/b6-5+
InChIKey HYYFMTHLPBTTPM-AATRIKPKSA-N
Molecular Weight 190.286 g/mol
SMILES C1(=C(CC(C=C1)(C)C)C)\C=C\C(=O)C
SPLASH splash10-0006-7900000000-f70e444713d4398ef840
Source of Spectrum CM-1999-20185-0
Synonyms (3E)-4-(2,4,4-Trimethyl-1,5-cyclohexadien-1-yl)-3-buten-2-one (E)-4-(2,4,4-trimethyl-1-cyclohexa-1,5-dienyl)-3-buten-2-one (E)-4-(2,4,4-trimethylcyclohexa-1,5-dien-1-yl)but-3-en-2-one
Wiley ID 482539