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1,7-Diphenyl-4-(3-phenylpropyl)-3-heptene

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

1,7-Diphenyl-4-(3-phenylpropyl)-3-heptene
SpectraBase Compound ID EXmsAoAXy9r
InChI InChI=1S/C28H32/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18,22H,10-12,19-21,23-24H2
InChIKey MRIWNISAXOBYEH-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C28H32
Exact Mass 368.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UnbpHy1AE9
Name 1,7-Diphenyl-4-(3-phenylpropyl)-3-heptene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.250401030 u
Formula C28H32
InChI InChI=1S/C28H32/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18,22H,10-12,19-21,23-24H2
InChIKey MRIWNISAXOBYEH-UHFFFAOYSA-N
Molecular Weight 368.564 g/mol
SMILES C(CCC1=CC=CC=C1)=C(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975973