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3-Benzyl-4-phenyl-3-buten-2-one
SpectraBase Compound ID DJK3Ww04n50
InChI InChI=1S/C17H16O/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b17-12-
InChIKey PSFURMCBWJQCRX-ATVHPVEESA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSD5obJr6Zd
Name 3-Benzyl-4-phenyl-3-buten-2-one
Alternate Name(s) 3-Benzylidene-4-phenylbutanone (3Z)-3-benzyl-4-phenyl-3-buten-2-one (Z)-4-phenyl-3-(phenylmethyl)-3-buten-2-one (Z)-3-benzyl-4-phenylbut-3-en-2-one (Z)-4-phenyl-3-(phenylmethyl)but-3-en-2-one
CAS Registry Number 123728-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O
InChI InChI=1S/C17H16O/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b17-12-
InChIKey PSFURMCBWJQCRX-ATVHPVEESA-N
Molecular Weight 236.314 g/mol
SMILES c1(\C=C/(C(=O)C)Cc2ccccc2)ccccc1
SPLASH splash10-000f-4980000000-6d24153d28ce0443c3ee
Source of Spectrum AJ-62-1196-2
Wiley ID 1239121