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4-(4-acetylphenyl)but-3-en-2-one
SpectraBase Compound ID 20x3elN6gQI
InChI InChI=1S/C12H12O2/c1-9(13)3-4-11-5-7-12(8-6-11)10(2)14/h3-8H,1-2H3
InChIKey XCFFGUOWJMOOEM-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUzBSuN0XX2
Name 4-(4-acetylphenyl)but-3-en-2-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-9(13)3-4-11-5-7-12(8-6-11)10(2)14/h3-8H,1-2H3
InChIKey XCFFGUOWJMOOEM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.807
Molecular Weight 188.226 g/mol
Quality 123
SMILES C1(C=CC(C)=O)=CC=C(C=C1)C(=O)C
SPLASH splash10-007a-0900000000-9432f1fdf7e754c403b9
Source of Spectrum ARK-2003-64-3j (DOI: 10.3998/ark.5550190.0004.807)
Wiley ID 1900046