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(E)-4-(2,5-dimethylphenyl)-3-buten-2-one
SpectraBase Compound ID 4rj3wLYzCcQ
InChI InChI=1S/C12H14O/c1-9-4-5-10(2)12(8-9)7-6-11(3)13/h4-8H,1-3H3/b7-6+
InChIKey VUNZNMCBJQBBMT-VOTSOKGWSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUaC1mGN5u5
Name (E)-4-(2,5-dimethylphenyl)-3-buten-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-9-4-5-10(2)12(8-9)7-6-11(3)13/h4-8H,1-3H3/b7-6+
InChIKey VUNZNMCBJQBBMT-VOTSOKGWSA-N
Molecular Weight 174.243 g/mol
SMILES c1(\C=C\C(=O)C)c(ccc(c1)C)C
SPLASH splash10-0a4i-0900000000-adccf6ffcc340a42b9cd
Source of Spectrum K1-2003-3495-42
Synonyms (E)-4-(2,5-dimethylphenyl)but-3-en-2-one
Wiley ID 1521401