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(5a,5aa,9aa,10a)-5,10-Bis(4-fluorophenyl)-5,5a,6,9,9a,10-hexahydro-6,9methanonaphtho[3,2-k]pyracene
SpectraBase Compound ID 8twyOyKTW8T
InChI InChI=1S/C35H26F2/c36-24-11-5-20(6-12-24)29-31-22-3-4-23(17-22)32(31)30(21-7-13-25(37)14-8-21)35-27-16-10-19-2-1-18-9-15-26(34(29)35)33(27)28(18)19/h3-16,22-23,29-32H,1-2,17H2/t22?,23?,29-,30+,31-,32+
InChIKey MHQSESJUQBTSLD-RQIHWHEASA-N
Mol Weight 484.6 g/mol
Molecular Formula C35H26F2
Exact Mass 484.200257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUJBnhVdrst
Name (5a,5aa,9aa,10a)-5,10-Bis(4-fluorophenyl)-5,5a,6,9,9a,10-hexahydro-6,9methanonaphtho[3,2-k]pyracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H26F2
InChI InChI=1S/C35H26F2/c36-24-11-5-20(6-12-24)29-31-22-3-4-23(17-22)32(31)30(21-7-13-25(37)14-8-21)35-27-16-10-19-2-1-18-9-15-26(34(29)35)33(27)28(18)19/h3-16,22-23,29-32H,1-2,17H2/t22?,23?,29-,30+,31-,32+
InChIKey MHQSESJUQBTSLD-RQIHWHEASA-N
Molecular Weight 484.590 g/mol
SMILES C12=C(c3ccc4c5c3c2ccc5CC4)[C@@](c2ccc(cc2)F)([C@]2([C@@]([C@]1(c1ccc(cc1)F)[H])(C1C=CC2C1)[H])[H])[H]
SPLASH splash10-02ai-0004900000-2f764311e0152f6d6386
Source of Spectrum U1-2010-676-7d
Wiley ID 1663361