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2-[3-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 4MrSXYOP8Uu
InChI InChI=1S/C32H37F/c1-3-5-22-7-9-24(10-8-22)25-11-13-26(14-12-25)31-16-15-27(21-32(31)33)30-19-28-17-23(6-4-2)18-29(28)20-30/h7-16,21,23,28-30H,3-6,17-20H2,1-2H3
InChIKey PFRLBIOLTBSVGZ-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C32H37F
Exact Mass 440.287929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4Hq87WC1MM
Name 2-[3-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
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Formula C32H37F
InChI InChI=1S/C32H37F/c1-3-5-22-7-9-24(10-8-22)25-11-13-26(14-12-25)31-16-15-27(21-32(31)33)30-19-28-17-23(6-4-2)18-29(28)20-30/h7-16,21,23,28-30H,3-6,17-20H2,1-2H3
InChIKey PFRLBIOLTBSVGZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 440.646 g/mol
SMILES C1C(CC2C1CC(C2)c1cc(c(cc1)-c1ccc(cc1)-c1ccc(cc1)CCC)F)CCC
SPLASH splash10-0a4i-0900100000-44297c5a90a2f695775f
Source of Spectrum CN102875417A
Wiley ID 1847073