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4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one
SpectraBase Compound ID kphjgizjkd
InChI InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3
InChIKey UWWCASOGCPOGJP-UHFFFAOYSA-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 46fhOjmnbbx
Name 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
GC Oven Program Oven temp 300oC, Split injector
InChI InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3
InChIKey UWWCASOGCPOGJP-UHFFFAOYSA-N
Instrument Name GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2021.101285
Molecular Weight 190.286 g/mol
SMILES CC1=C(C(CC=C1)(C)C)C=CC(C)=O
SPLASH splash10-0006-9500000000-7188767a932c9546ab2e
Source of Spectrum SCS-25-SM9-Fig S1.22
Wiley ID 1876918