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2,6,6-trimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-one
SpectraBase Compound ID IpQSe2XfxaT
InChI InChI=1S/C13H18O2/c1-10(14)6-9-13(4)8-5-7-12(2,3)11(13)15/h5-6,8-9H,7H2,1-4H3/b9-6+
InChIKey YSWYNHPGSASCHT-RMKNXTFCSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKbBA4ZnMS6
Name 2,6,6-trimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-one
Alternate Name(s) 2,6,6-trimethyl-2-[(E)-3-oxobut-1-enyl]-1-cyclohex-3-enone 2,6,6-trimethyl-2-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one 2-[(E)-3-ketobut-1-enyl]-2,6,6-trimethyl-cyclohex-3-en-1-one
CAS Registry Number 90165-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-10(14)6-9-13(4)8-5-7-12(2,3)11(13)15/h5-6,8-9H,7H2,1-4H3/b9-6+
InChIKey YSWYNHPGSASCHT-RMKNXTFCSA-N
Molecular Weight 206.285 g/mol
SMILES C1(C(\C=C\C(=O)C)(C=CCC1(C)C)C)=O
SPLASH splash10-0006-9700000000-eb859ec06eb7b7132bc8
Source of Spectrum H-67-143-0
Wiley ID 1204649