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3,5,5-Trimethyl-4-(1,3-dioxanyl-2)-2-cyclohexen-1-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3,5,5-Trimethyl-4-(1,3-dioxanyl-2)-2-cyclohexen-1-one
SpectraBase Compound ID GvUoqKDVJEk
InChI InChI=1S/C13H20O3/c1-9-7-10(14)8-13(2,3)11(9)12-15-5-4-6-16-12/h7,11-12H,4-6,8H2,1-3H3
InChIKey BWBFNRFGLYNDNT-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ktL1qU7wJ2
Name 3,5,5-Trimethyl-4-(1,3-dioxanyl-2)-2-cyclohexen-1-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-10(14)8-13(2,3)11(9)12-15-5-4-6-16-12/h7,11-12H,4-6,8H2,1-3H3
InChIKey BWBFNRFGLYNDNT-UHFFFAOYSA-N
Molecular Weight 224.1407
SMILES C1OC(C2C(C)=CC(=O)CC2(C)C)OCC1
SPLASH splash10-000i-9000000000-df76eeaec0ae5ce648b4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany