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B-PFB-TMS
SpectraBase Compound ID BDO61trn7Dq
InChI InChI=1S/C30H36F5NO5SSi/c1-43(2,3)41-20(8-7-11-24(37)40-17-23-25(31)27(33)29(35)28(34)26(23)32)14-15-22-18-12-13-19(16-18)30(22)36-42(38,39)21-9-5-4-6-10-21/h4-6,9-10,14,18-19,22,30,36H,7-8,11-13,15-17H2,1-3H3/b20-14-/t18-,19+,22?,30?/m1/s1
InChIKey UNQVDRFLTOERDO-GLFYHNOBSA-N
Mol Weight 645.8 g/mol
Molecular Formula C30H36F5NO5SSi
Exact Mass 645.200362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WdxwsG0JXe
Name B-PFB-TMS
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (5Z)-7-{3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl}-5-[(trimethylsilyl)oxy]-5-heptenoate Pentafluorobenzyl (+-)-5-(Z)-7-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)(trimethylsilyloxy)heptenoate
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Formula C30H36F5NO5SSi
InChI InChI=1S/C30H36F5NO5SSi/c1-43(2,3)41-20(8-7-11-24(37)40-17-23-25(31)27(33)29(35)28(34)26(23)32)14-15-22-18-12-13-19(16-18)30(22)36-42(38,39)21-9-5-4-6-10-21/h4-6,9-10,14,18-19,22,30,36H,7-8,11-13,15-17H2,1-3H3/b20-14-/t18-,19+,22?,30?/m1/s1
InChIKey UNQVDRFLTOERDO-GLFYHNOBSA-N
Molecular Weight 645.757 g/mol
SMILES N(S(=O)(=O)c1ccccc1)C1C([C@]2(C[C@@]1(CC2)[H])[H])C\C=C\(O[Si](C)(C)C)CCCC(OCc1c(c(F)c(c(c1F)F)F)F)=O
SPLASH splash10-00di-0309110000-5b81a0f6e16aa07e2368
Source of Spectrum KO-18-1059-3
Wiley ID 1412873