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1,4-Diphenylbut-3-en-2-one
SpectraBase Compound ID DurGlnMVEG0
InChI InChI=1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
InChIKey QMDWBHJPUAOGHO-VAWYXSNFSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wIth7v55xi
Name 1,4-Diphenylbut-3-en-2-one
Alternate Name(s) (E)-1,4-diphenyl-3-buten-2-one (E)-1,4-diphenylbut-3-en-2-one
CAS Registry Number 5409-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O
InChI InChI=1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
InChIKey QMDWBHJPUAOGHO-VAWYXSNFSA-N
Molecular Weight 222.287 g/mol
SMILES c1(\C=C\C(=O)Cc2ccccc2)ccccc1
SPLASH splash10-0f89-6900000000-8f499887dec4f4fc90d7
Source of Spectrum F-57-529-0
Wiley ID 1549359