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(1E,4E)-hepta-1,4-diene-1,3,7-triyltribenzene

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

(1E,4E)-hepta-1,4-diene-1,3,7-triyltribenzene
SpectraBase Compound ID JaXyc3rPyGm
InChI InChI=1S/C25H24/c1-4-12-22(13-5-1)16-10-11-19-25(24-17-8-3-9-18-24)21-20-23-14-6-2-7-15-23/h1-9,11-15,17-21,25H,10,16H2/b19-11+,21-20+
InChIKey YUXKMZLHCJOWRQ-INXLYVCPSA-N
Mol Weight 324.47 g/mol
Molecular Formula C25H24
Exact Mass 324.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fo0ZZ1P6dU
Name (1E,4E)-Hepta-1,4-diene-1,3,7-triyltribenzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.187800773 u
Formula C25H24
InChI InChI=1S/C25H24/c1-4-12-22(13-5-1)16-10-11-19-25(24-17-8-3-9-18-24)21-20-23-14-6-2-7-15-23/h1-9,11-15,17-21,25H,10,16H2/b19-11+,21-20+
InChIKey YUXKMZLHCJOWRQ-INXLYVCPSA-N
Molecular Weight 324.467 g/mol
SMILES C=1C=C(\C=C\C(\C=C\CCC2=CC=CC=C2)C2=CC=CC=C2)C=CC1