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2-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID DU45Fwbs1wn
InChI InChI=1S/C13H18O2/c1-9-7-13(3,4)8-12(15)11(9)6-5-10(2)14/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey SQYRQXFXXYAAMA-AATRIKPKSA-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 4NfXWGq4t36
Name 2-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Alternate Name(s) 3,5,5-trimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one 3,5,5-trimethyl-2-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone 3,5,5-trimethyl-2-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-7-13(3,4)8-12(15)11(9)6-5-10(2)14/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey SQYRQXFXXYAAMA-AATRIKPKSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=C(CC(CC1=O)(C)C)C)\C=C\C(=O)C
SPLASH splash10-052f-9700000000-1ac7a4cef91a53e312d5
Source of Spectrum KC-0-2403-21
Wiley ID 786435