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S-145-PFB

View entire compound with spectra: 1 MS (GC)

S-145-PFB
SpectraBase Compound ID Q1kb42F1pA
InChI InChI=1S/C27H28F5NO4S/c28-22-20(23(29)25(31)26(32)24(22)30)15-37-21(34)11-7-2-1-6-10-19-16-12-13-17(14-16)27(19)33-38(35,36)18-8-4-3-5-9-18/h1-5,8-9,16-17,19,27,33H,6-7,10-15H2/b2-1+/t16-,17+,19-,27-/m1/s1
InChIKey PCVWCPFTKLJVHM-LXGHMRLXSA-N
Mol Weight 557.58 g/mol
Molecular Formula C27H28F5NO4S
Exact Mass 557.16592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWy8lEXpWpv
Name S-145-PFB
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (4E)-7-{3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl}-4-heptenoate Pentafluorobenzyl (+-)-5-(Z)-7-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28F5NO4S
InChI InChI=1S/C27H28F5NO4S/c28-22-20(23(29)25(31)26(32)24(22)30)15-37-21(34)11-7-2-1-6-10-19-16-12-13-17(14-16)27(19)33-38(35,36)18-8-4-3-5-9-18/h1-5,8-9,16-17,19,27,33H,6-7,10-15H2/b2-1+/t16-,17+,19-,27-/m1/s1
InChIKey PCVWCPFTKLJVHM-LXGHMRLXSA-N
Molecular Weight 557.576 g/mol
SMILES N(S(=O)(=O)c1ccccc1)[C@@]1([C@@]2(C[C@]([C@]1(CC\C=C\CCC(OCc1c(c(F)c(c(c1F)F)F)F)=O)[H])(CC2)[H])[H])[H]
SPLASH splash10-001l-0910000000-2df3b41965047e7492da
Source of Spectrum KO-18-1058-1
Wiley ID 1406481