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1-Benzoyl-2(p-tolyl)-3-phenylcyclopropane

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

1-Benzoyl-2(p-tolyl)-3-phenylcyclopropane
SpectraBase Compound ID IZdm3namUWy
InChI InChI=1S/C23H20O/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(21)23(24)19-10-6-3-7-11-19/h2-15,20-22H,1H3
InChIKey PDZBBDOSVANZAC-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C23H20O
Exact Mass 312.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeCpWwyfBYB
Name 1-Benzoyl-2(p-tolyl)-3-phenylcyclopropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.151415263 u
Formula C23H20O
InChI InChI=1S/C23H20O/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(21)23(24)19-10-6-3-7-11-19/h2-15,20-22H,1H3
InChIKey PDZBBDOSVANZAC-UHFFFAOYSA-N
Molecular Weight 312.412 g/mol
SMILES C1(C(C2=CC=C(C=C2)C)C1C1=CC=CC=C1)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896893