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(E)-4-(3',5'-Dimethylphenyl)-3-buten-2-one
SpectraBase Compound ID AdX6zPuy2cG
InChI InChI=1S/C12H14O/c1-9-6-10(2)8-12(7-9)5-4-11(3)13/h4-8H,1-3H3/b5-4+
InChIKey PCFYIQMDJNXXDZ-SNAWJCMRSA-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 EsqM8YfPC6B
Name (E)-4-(3',5'-Dimethylphenyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-9-6-10(2)8-12(7-9)5-4-11(3)13/h4-8H,1-3H3/b5-4+
InChIKey PCFYIQMDJNXXDZ-SNAWJCMRSA-N
Literature Reference DOI 10.1002/adsc.200900902
Molecular Weight 174.243 g/mol
SMILES c1(cc(cc(\C=C\C(C)=O)c1)C)C
SPLASH splash10-0a4i-0900000000-ab818ad783a8a6af3d74
Source of Spectrum ASC-352-1135/SM10-4m
Synonyms (E)-4-(3,5-dimethylphenyl)but-3-en-2-one (E)-4-(3,5-dimethylphenyl)-3-buten-2-one
Wiley ID 1764403