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1,3-Di(trifluoroacetoxy)-4-(3-trifluoroacetoxy-1-heptyl)-5-(6'-(1"-trifluoromethyl-2",2",2"-trifluoroethyoxy)-carbonyl-2-hexenyl)-cyclopentane

View entire compound with spectra: 1 MS (GC)

1,3-Di(trifluoroacetoxy)-4-(3-trifluoroacetoxy-1-heptyl)-5-(6'-(1"-trifluoromethyl-2",2",2"-trifluoroethyoxy)-carbonyl-2-hexenyl)-cyclopentane
SpectraBase Compound ID IQI6Lyra7S0
InChI InChI=1S/C28H29F15O8/c1-2-3-8-14(48-21(45)26(35,36)37)11-12-16-15(9-6-4-5-7-10-19(44)51-20(24(29,30)31)25(32,33)34)17(49-22(46)27(38,39)40)13-18(16)50-23(47)28(41,42)43/h4,6,11-12,14-18,20H,2-3,5,7-10,13H2,1H3/b6-4+,12-11+
InChIKey MWUOMWCIVUGDCF-AISFQEEOSA-N
Mol Weight 778.51 g/mol
Molecular Formula C28H29F15O8
Exact Mass 778.16229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgZJ0XbbzLF
Name 1,3-Di(trifluoroacetoxy)-4-(3-trifluoroacetoxy-1-heptyl)-5-(6'-(1"-trifluoromethyl-2",2",2"-trifluoroethyoxy)-carbonyl-2-hexenyl)-cyclopentane
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (5E)-7-(3,5-bis[(trifluoroacetyl)oxy]-2-{(1E)-3-[(trifluoroacetyl)oxy]-1-heptenyl}cyclopentyl)-5-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29F15O8
InChI InChI=1S/C28H29F15O8/c1-2-3-8-14(48-21(45)26(35,36)37)11-12-16-15(9-6-4-5-7-10-19(44)51-20(24(29,30)31)25(32,33)34)17(49-22(46)27(38,39)40)13-18(16)50-23(47)28(41,42)43/h4,6,11-12,14-18,20H,2-3,5,7-10,13H2,1H3/b6-4+,12-11+
InChIKey MWUOMWCIVUGDCF-AISFQEEOSA-N
Molecular Weight 778.508 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(=O)CCC\C=C\CC1C(CC(C1\C=C\C(OC(C(F)(F)F)=O)CCCC)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-00dr-0492420000-5658153277dcaa5c206a
Source of Spectrum JC-365-165-2
Wiley ID 1416845