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E-9-{1-(2,6-Di-n-butylphenyl)-1-phenylmethylene}-1,2,3,4,4a,9a-hexahydro-1,4-methano-1H-fluorene
SpectraBase Compound ID BysKpDANMPj
InChI InChI=1S/C35H40/c1-3-5-13-24-17-12-18-25(14-6-4-2)31(24)33(26-15-8-7-9-16-26)35-30-20-11-10-19-29(30)32-27-21-22-28(23-27)34(32)35/h7-12,15-20,27-28,32,34H,3-6,13-14,21-23H2,1-2H3/b35-33-
InChIKey COZFUSAJKDVWPM-OAPYJULQSA-N
Mol Weight 460.7 g/mol
Molecular Formula C35H40
Exact Mass 460.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG5EjlRfxSH
Name E-9-{1-(2,6-Di-n-butylphenyl)-1-phenylmethylene}-1,2,3,4,4a,9a-hexahydro-1,4-methano-1H-fluorene
Alternate Name(s) (9E)-9-[(2,6-dibutylphenyl)(phenyl)methylene]tetracyclo[9.2.1.0(2,10).0(3,8)]tetradeca-3,5,7-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40
InChI InChI=1S/C35H40/c1-3-5-13-24-17-12-18-25(14-6-4-2)31(24)33(26-15-8-7-9-16-26)35-30-20-11-10-19-29(30)32-27-21-22-28(23-27)34(32)35/h7-12,15-20,27-28,32,34H,3-6,13-14,21-23H2,1-2H3/b35-33-
InChIKey COZFUSAJKDVWPM-OAPYJULQSA-N
Molecular Weight 460.705 g/mol
SMILES C12\C(c3ccccc3C1C1CCC2C1)=C\(c1ccccc1)c1c(cccc1CCCC)CCCC
SPLASH splash10-0296-9360300000-f068f9deb88f913cf83b
Source of Spectrum AU-689-3748-13
Wiley ID 1576111