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1,3-Diphenyl-3-o-tolylpropan-1-one

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

1,3-Diphenyl-3-o-tolylpropan-1-one
SpectraBase Compound ID FA1RheeHJRU
InChI InChI=1S/C22H20O/c1-17-10-8-9-15-20(17)21(18-11-4-2-5-12-18)16-22(23)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3/t21-/m0/s1
InChIKey UDFKYXZUVXQSNP-NRFANRHFSA-N
Mol Weight 300.4 g/mol
Molecular Formula C22H20O
Exact Mass 300.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2iHQJZu3LSV
Name 1,3-Diphenyl-3-o-tolylpropan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.151415263 u
Formula C22H20O
InChI InChI=1S/C22H20O/c1-17-10-8-9-15-20(17)21(18-11-4-2-5-12-18)16-22(23)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3/t21-/m0/s1
InChIKey UDFKYXZUVXQSNP-NRFANRHFSA-N
SMILES C1=CC([C@@](CC(C2=CC=CC=C2)=O)(C2=CC=CC=C2)[H])=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939645