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4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one

View entire compound with spectra: 3 MS (GC)

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 GY3PeEcbklB
Name 4-(2,4,4-TRIMETHYLCYCLOHEXA-1,5-DIENYL)BUT-3-EN-2-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 190.1353
SMILES C1C(C)=C(\C=C\C(C)=O)C=CC1(C)C
SPLASH splash10-0006-7900000000-798b582d5795822c9328
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany