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Pentafluorobenzyl (+-)-5-(Z)-7-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)hepta-3,5-dienoate
SpectraBase Compound ID 7a9NcUsYaCB
InChI InChI=1S/C27H26F5NO4S/c28-22-20(23(29)25(31)26(32)24(22)30)15-37-21(34)11-7-2-1-4-8-16-14-17-12-13-19(16)27(17)33-38(35,36)18-9-5-3-6-10-18/h1-7,9-10,16-17,19,27,33H,8,11-15H2/b4-1-,7-2+/t16-,17-,19+,27?/m0/s1
InChIKey LQCNLGROYBKZFG-HENDTJRKSA-N
Mol Weight 555.56 g/mol
Molecular Formula C27H26F5NO4S
Exact Mass 555.15027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kon1AdjAYhI
Name Pentafluorobenzyl (+-)-5-(Z)-7-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)hepta-3,5-dienoate
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (3E,5Z)-7-{7-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl}-3,5-heptadienoate
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Formula C27H26F5NO4S
InChI InChI=1S/C27H26F5NO4S/c28-22-20(23(29)25(31)26(32)24(22)30)15-37-21(34)11-7-2-1-4-8-16-14-17-12-13-19(16)27(17)33-38(35,36)18-9-5-3-6-10-18/h1-7,9-10,16-17,19,27,33H,8,11-15H2/b4-1-,7-2+/t16-,17-,19+,27?/m0/s1
InChIKey LQCNLGROYBKZFG-HENDTJRKSA-N
Molecular Weight 555.560 g/mol
SMILES N(S(=O)(=O)c1ccccc1)C1[C@]2([C@@](C\C=C/C=C/CC(OCc3c(c(F)c(c(c3F)F)F)F)=O)(C[C@@]1(CC2)[H])[H])[H]
SPLASH splash10-001j-0913000000-be0a082eef513e362e46
Source of Spectrum KO-18-1059-3
Wiley ID 1406289