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(1R,4R)-4-(tert-Butyldimethylsilanoxy)-2-iodo-3-methylcyclopent-2-enyl-2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID DdiPFRQtrmm
InChI InChI=1S/C19H22F5IO3Si/c1-8-9(28-29(5,6)19(2,3)4)7-10(17(8)25)27-18(26)11-12(20)14(22)16(24)15(23)13(11)21/h9-10H,7H2,1-6H3/t9-,10-/m1/s1
InChIKey REUJNHKBECPGSC-NXEZZACHSA-N
Mol Weight 548.36 g/mol
Molecular Formula C19H22F5IO3Si
Exact Mass 548.030307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpTDiZNbpSb
Name (1R,4R)-4-(tert-Butyldimethylsilanoxy)-2-iodo-3-methylcyclopent-2-enyl-2,3,4,5,6-pentafluorobenzoate
Alternate Name(s) (1R,4R)-4-((tert-butyldimethylsilyl)oxy)-2-iodo-3-methylcyclopent-2-en-1-yl 2,3,4,5,6-pentafluorobenzoate 2,3,4,5,6-pentafluorobenzoic acid [(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-methyl-1-cyclopent-2-enyl] ester [(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-methylcyclopent-2-en-1-yl] 2,3,4,5,6-pentafluorobenzoate [(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-methyl-cyclopent-2-en-1-yl] 2,3,4,5,6-pentafluorobenzoate [(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodanyl-3-methyl-cyclopent-2-en-1-yl] 2,3,4,5,6-pentakis(fluoranyl)benzoate
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Formula C19H22F5IO3Si
InChI InChI=1S/C19H22F5IO3Si/c1-8-9(28-29(5,6)19(2,3)4)7-10(17(8)25)27-18(26)11-12(20)14(22)16(24)15(23)13(11)21/h9-10H,7H2,1-6H3/t9-,10-/m1/s1
InChIKey REUJNHKBECPGSC-NXEZZACHSA-N
Literature Reference DOI 10.1021/ol063052n
Molecular Weight 548.363 g/mol
SMILES [C@]1(O[Si](C(C)(C)C)(C)C)(C[C@](C(=C1C)I)(OC(c1c(c(c(c(c1F)F)F)F)F)=O)[H])[H]
SPLASH splash10-004i-9712000000-3503dcb36063e61741a9
Source of Spectrum A1-9-1021/SM10-trans_5
Wiley ID 1757899