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1,1,4,5-Tetraphenyl-7-(p-methylphenyl)hepta-1,4,6-triene

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

1,1,4,5-Tetraphenyl-7-(p-methylphenyl)hepta-1,4,6-triene
SpectraBase Compound ID 1jFpK8uKpDR
InChI InChI=1S/C38H32/c1-30-22-24-31(25-23-30)26-27-37(34-18-10-4-11-19-34)38(35-20-12-5-13-21-35)29-28-36(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h2-28H,29H2,1H3/b27-26+,38-37+
InChIKey UKLOXENQKZKAFH-LTKMBASASA-N
Mol Weight 488.7 g/mol
Molecular Formula C38H32
Exact Mass 488.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3cPfBSYORTZ
Name 1,1,4,5-Tetraphenyl-7-(p-methylphenyl)hepta-1,4,6-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.250401030 u
Formula C38H32
InChI InChI=1S/C38H32/c1-30-22-24-31(25-23-30)26-27-37(34-18-10-4-11-19-34)38(35-20-12-5-13-21-35)29-28-36(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h2-28H,29H2,1H3/b27-26+,38-37+
InChIKey UKLOXENQKZKAFH-LTKMBASASA-N
Molecular Weight 488.674 g/mol
SMILES C(\C(=C\(\C=C\C=1C=CC(=CC1)C)C1=CC=CC=C1)C=1C=CC=CC1)C=C(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816997