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2-[4-[4-(4-butylphenyl)-2,3-difluoro-phenyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID B0fJQuwET9e
InChI InChI=1S/C30H32F2/c1-2-3-5-20-8-10-22(11-9-20)27-16-17-28(30(32)29(27)31)23-14-12-21(13-15-23)26-18-24-6-4-7-25(24)19-26/h8-17,24-26H,2-7,18-19H2,1H3
InChIKey IUWYPSYAAHKTTP-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C30H32F2
Exact Mass 430.247207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVcbnsczcrm
Name 2-[4-[4-(4-butylphenyl)-2,3-difluoro-phenyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32F2
InChI InChI=1S/C30H32F2/c1-2-3-5-20-8-10-22(11-9-20)27-16-17-28(30(32)29(27)31)23-14-12-21(13-15-23)26-18-24-6-4-7-25(24)19-26/h8-17,24-26H,2-7,18-19H2,1H3
InChIKey IUWYPSYAAHKTTP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 430.583 g/mol
SMILES c1(ccc(c(c1F)F)-c1ccc(cc1)C1CC2C(C1)CCC2)-c1ccc(cc1)CCCC
SPLASH splash10-001i-0000900000-a5e9669d879fba8353b7
Source of Spectrum CN103086843A
Wiley ID 1847225