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4,4-Diphenyl-3-buten-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 6 MS (GC)

4,4-Diphenyl-3-buten-2-one
SpectraBase Compound ID ErXN6AK01rz
InChI InChI=1S/C16H14O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey KCHQXPGUJBVNTN-UHFFFAOYSA-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 DX3L4ROjgds
Name 4,4-Diphenyl-3-buten-2-one
CAS Registry Number 837-66-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O
InChI InChI=1S/C16H14O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey KCHQXPGUJBVNTN-UHFFFAOYSA-N
Molecular Weight 222.287 g/mol
SMILES c1cc(C(c2ccccc2)=CC(=O)C)ccc1
SPLASH splash10-05i0-5980000000-0801e3e118dac4cc7cf2
Synonyms 3-Buten-2-one, 4,4-diphenyl- 4,4-Diphenylbut-3-en-2-one
Wiley ID 1474715