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(E)-1-(2,3,6-trimethylphenyl)-2-buten-1-one
SpectraBase Compound ID GWkF9MHNAUn
InChI InChI=1S/C13H16O/c1-5-6-12(14)13-10(3)8-7-9(2)11(13)4/h5-8H,1-4H3/b6-5+
InChIKey BKPHNRBKDWTWOI-AATRIKPKSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPREN8AwtSp
Name (E)-1-(2,3,6-trimethylphenyl)-2-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-5-6-12(14)13-10(3)8-7-9(2)11(13)4/h5-8H,1-4H3/b6-5+
InChIKey BKPHNRBKDWTWOI-AATRIKPKSA-N
Molecular Weight 188.270 g/mol
SMILES c1(c(c(C)ccc1C)C)C(\C=C\C)=O
SPLASH splash10-00y3-4900000000-f958ccf88e7778ec66a2
Source of Spectrum H-56-2028-0
Synonyms (E)-1-(2,3,6-trimethylphenyl)but-2-en-1-one
Wiley ID 846867