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1-(4-Cyanophenyl)-3-hydroxy-3-phenyl-1-propanone

View entire compound with spectra: 1 MS (GC)

1-(4-Cyanophenyl)-3-hydroxy-3-phenyl-1-propanone
SpectraBase Compound ID 3Qdbv9zTWoh
InChI InChI=1S/C16H13NO2/c17-11-12-6-8-14(9-7-12)16(19)10-15(18)13-4-2-1-3-5-13/h1-9,15,18H,10H2
InChIKey SOTFGXDCZWCNHA-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l1DxBZtltU
Name 1-(4-Cyanophenyl)-3-hydroxy-3-phenyl-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c17-11-12-6-8-14(9-7-12)16(19)10-15(18)13-4-2-1-3-5-13/h1-9,15,18H,10H2
InChIKey SOTFGXDCZWCNHA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob02621g
Molecular Weight 251.285 g/mol
SMILES OC(c1ccccc1)CC(c1ccc(cc1)C#N)=O
SPLASH splash10-0ff0-0950000000-b3fdebfea526025cb485
Source of Spectrum F5-13-2385/SMS10-3i
Synonyms 4-(3-hydroxy-3-phenylpropanoyl)benzonitrile 4-(3-hydroxy-1-oxo-3-phenylpropyl)benzonitrile 4-(3-oxidanyl-3-phenyl-propanoyl)benzenecarbonitrile
Wiley ID 1757688