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((1E,4E)-7-phenylhepta-1,4-diene-1,3-diyl)dicyclohexane

View entire compound with spectra: 1 MS (GC)

((1E,4E)-7-phenylhepta-1,4-diene-1,3-diyl)dicyclohexane
SpectraBase Compound ID D4brauwrgSV
InChI InChI=1S/C25H36/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/h1,4-5,11-13,19-21,23-25H,2-3,6-10,14-18H2/b19-11+,21-20+
InChIKey AFKKUFXVTWEDPS-INXLYVCPSA-N
Mol Weight 336.6 g/mol
Molecular Formula C25H36
Exact Mass 336.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2izAWgltD6v
Name ((1E,4E)-7-phenylhepta-1,4-diene-1,3-diyl)dicyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36
InChI InChI=1S/C25H36/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/h1,4-5,11-13,19-21,23-25H,2-3,6-10,14-18H2/b19-11+,21-20+
InChIKey AFKKUFXVTWEDPS-INXLYVCPSA-N
Literature Reference DOI 10.1002/anie.201407000
Molecular Weight 336.563 g/mol
SMILES c1cc(CC\C=C\C(C2CCCCC2)\C=C\C2CCCCC2)ccc1
SPLASH splash10-00kg-9410000000-dfcccdc14243a9de68fb
Source of Spectrum ACI-53-SMS14-4o
Wiley ID 1782812