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6-Fluoro-8-{2'-[3'-(3"-fluorophenyl)bicyclo[2.2.1]heptyl]}-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene
SpectraBase Compound ID J0Adda0dymf
InChI InChI=1S/C26H26F2/c27-18-3-1-2-13(10-18)22-14-4-5-15(8-14)23(22)20-11-19(28)12-21-24-16-6-7-17(9-16)25(24)26(20)21/h1-3,10-12,14-17,22-25H,4-9H2/t14-,15+,16-,17+,22-,23+,24-,25-/m1/s1
InChIKey IGHSMQLBADJKII-JJMYTHRISA-N
Mol Weight 376.49 g/mol
Molecular Formula C26H26F2
Exact Mass 376.200257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cmLfwLhC9z
Name 6-Fluoro-8-{2'-[3'-(3"-fluorophenyl)bicyclo[2.2.1]heptyl]}-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene
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Formula C26H26F2
InChI InChI=1S/C26H26F2/c27-18-3-1-2-13(10-18)22-14-4-5-15(8-14)23(22)20-11-19(28)12-21-24-16-6-7-17(9-16)25(24)26(20)21/h1-3,10-12,14-17,22-25H,4-9H2/t14-,15+,16-,17+,22-,23+,24-,25-/m1/s1
InChIKey IGHSMQLBADJKII-JJMYTHRISA-N
Molecular Weight 376.491 g/mol
SMILES c12[C@@]3([C@@]4(C[C@]([C@@]3(c2cc(cc1[C@]1([C@@]([C@]2(C[C@@]1(CC2)[H])[H])(c1cc(F)ccc1)[H])[H])F)[H])(CC4)[H])[H])[H]
SPLASH splash10-002r-0509000000-f867339e357901ea0c99
Source of Spectrum SO-0-772-4
Synonyms 6-Fluoro-8-{2'-[3'-(3''-fluorophenyl)bicyclo[2.2.1]heptyl]}-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene
Wiley ID 873732