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3-(trans-1-Oxo-2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 1fe9DD2eCVL
InChI InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey UQQQQVCDQHWDNJ-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 GolYp4vO9MT
Name 2,4,4-trimethyl-3-[(E)-1-oxobut-2-enyl]-1-cyclohex-2-enone
Alternate Name(s) 3-[(E)-but-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey UQQQQVCDQHWDNJ-AATRIKPKSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)C(\C=C\C)=O
SPLASH splash10-014i-9400000000-c11ba49f1acc18bf4e47
Source of Spectrum PR-373-0-0
Wiley ID 1204790