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3-Buten-1-one, 1,3,4,4-tetraphenyl-

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

3-Buten-1-one, 1,3,4,4-tetraphenyl-
SpectraBase Compound ID 2ndWRgcalz9
InChI InChI=1S/C28H22O/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey YULCEOSWQKLADM-UHFFFAOYSA-N
Mol Weight 374.48 g/mol
Molecular Formula C28H22O
Exact Mass 374.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4wTsFIATUWn
Name 3-Buten-1-one, 1,3,4,4-tetraphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.167065327 u
Formula C28H22O
InChI InChI=1S/C28H22O/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey YULCEOSWQKLADM-UHFFFAOYSA-N
Molecular Weight 374.483 g/mol
SMILES C(=O)(CC(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935147