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3,5-Diphenylheptan-4-one

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

3,5-Diphenylheptan-4-one
SpectraBase Compound ID IfNVAniiL4Y
InChI InChI=1S/C19H22O/c1-3-17(15-11-7-5-8-12-15)19(20)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey VGYHZOIPXFRXNL-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JFc2mrKhzlA
Name 3,5-Diphenylheptan-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.167065327 u
Formula C19H22O
InChI InChI=1S/C19H22O/c1-3-17(15-11-7-5-8-12-15)19(20)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey VGYHZOIPXFRXNL-UHFFFAOYSA-N
Molecular Weight 266.384 g/mol
SMILES CCC(C(C(CC)C=1C=CC=CC1)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876101