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bis-nor-S-145-PFB

View entire compound with spectra: 1 MS (GC)

bis-nor-S-145-PFB
SpectraBase Compound ID 5MLuLgHJMsz
InChI InChI=1S/C25H24F5NO4S/c26-20-18(21(27)23(29)24(30)22(20)28)13-35-19(32)9-5-4-8-17-14-10-11-15(12-14)25(17)31-36(33,34)16-6-2-1-3-7-16/h1-7,14-15,17,25,31H,8-13H2/b5-4-/t14-,15+,17+,25+/m1/s1
InChIKey XIZRSLBDRFECOC-JARFEWDHSA-N
Mol Weight 529.52 g/mol
Molecular Formula C25H24F5NO4S
Exact Mass 529.13462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVHThDJdp3e
Name bis-nor-S-145-PFB
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24F5NO4S
InChI InChI=1S/C25H24F5NO4S/c26-20-18(21(27)23(29)24(30)22(20)28)13-35-19(32)9-5-4-8-17-14-10-11-15(12-14)25(17)31-36(33,34)16-6-2-1-3-7-16/h1-7,14-15,17,25,31H,8-13H2/b5-4-/t14-,15+,17+,25+/m1/s1
InChIKey XIZRSLBDRFECOC-JARFEWDHSA-N
Molecular Weight 529.522 g/mol
SMILES N(S(=O)(=O)c1ccccc1)[C@@]1([C@]([C@]2(C[C@@]1(CC2)[H])[H])(C\C=C/CC(OCc1c(c(F)c(c(c1F)F)F)F)=O)[H])[H]
SPLASH splash10-001l-0900000000-becb2cf22b9d9de533b0
Source of Spectrum KO-18-1060-5
Synonyms 2,3,4,5,6-pentafluorobenzyl (3Z)-5-{3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl}-3-pentenoate Pentafluorobenzyl (+-)-3-(Z)-5-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)pent-3-enoate
Wiley ID 1403193