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cage[13-tert-Butyloxy-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophano-4,5-(9,10-anthracene)]
SpectraBase Compound ID GROpeqPPcdN
InChI InChI=1S/C34H24F8O/c1-30(2,3)43-25-16-17-12-13-22(25)32(37,38)34(41,42)24-15-14-23(33(39,40)31(17,35)36)28-26-18-8-4-6-10-20(18)27(29(24)28)21-11-7-5-9-19(21)26/h4-16,26-27H,1-3H3/t26-,27+
InChIKey KVJWHMSYWNGODU-MKPDMIMOSA-N
Mol Weight 600.6 g/mol
Molecular Formula C34H24F8O
Exact Mass 600.169941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbXLulhDH66
Name cage[13-tert-Butyloxy-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophano-4,5-(9,10-anthracene)]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H24F8O
InChI InChI=1S/C34H24F8O/c1-30(2,3)43-25-16-17-12-13-22(25)32(37,38)34(41,42)24-15-14-23(33(39,40)31(17,35)36)28-26-18-8-4-6-10-20(18)27(29(24)28)21-11-7-5-9-19(21)26/h4-16,26-27H,1-3H3/t26-,27+
InChIKey KVJWHMSYWNGODU-MKPDMIMOSA-N
Molecular Weight 600.552 g/mol
SMILES C1(C(c2c3c([C@]4(c5c([C@@]3(c3c4cccc3)[H])cccc5)[H])c(cc2)C(C(c2ccc1c(c2)OC(C)(C)C)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0udl-0009080000-169c363e5359800131f8
Source of Spectrum F-70-10340-11
Wiley ID 1598005