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.alpha.-7-(2-(3-(trimethylsiloxy)-octa-1(E)-enyl)-3,5-di(trimethylsiloxy)cyclopentyl)hepta-5(Z)-enoic acid pentafluorobenzyl ester (3,3,4,4-D4)
SpectraBase Compound ID DWJnAZcq6lm
InChI InChI=1S/C36H59F5O5Si3/c1-11-12-15-18-25(44-47(2,3)4)21-22-27-26(29(45-48(5,6)7)23-30(27)46-49(8,9)10)19-16-13-14-17-20-31(42)43-24-28-32(37)34(39)36(41)35(40)33(28)38/h13,16,21-22,25-27,29-30H,11-12,14-15,17-20,23-24H2,1-10H3/b16-13-,22-21+/i14D2,17D2
InChIKey QTOKSNMVIHVUKD-ASNHGPACSA-N
Mol Weight 755.1 g/mol
Molecular Formula C36H552D4F5O5Si3
Exact Mass 754.384152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TdWBjSCcoa
Name .alpha.-7-(2-(3-(trimethylsiloxy)-octa-1(E)-enyl)-3,5-di(trimethylsiloxy)cyclopentyl)hepta-5(Z)-enoic acid pentafluorobenzyl ester (3,3,4,4-D4)
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Formula C36H55D4F5O5Si3
InChI InChI=1S/C36H59F5O5Si3/c1-11-12-15-18-25(44-47(2,3)4)21-22-27-26(29(45-48(5,6)7)23-30(27)46-49(8,9)10)19-16-13-14-17-20-31(42)43-24-28-32(37)34(39)36(41)35(40)33(28)38/h13,16,21-22,25-27,29-30H,11-12,14-15,17-20,23-24H2,1-10H3/b16-13-,22-21+/i14D2,17D2
InChIKey QTOKSNMVIHVUKD-ASNHGPACSA-N
Molecular Weight 755.134 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CC(C(\C=C/CC1C(CC(C1\C=C\C(O[Si](C)(C)C)CCCCC)O[Si](C)(C)C)O[Si](C)(C)C)([2D])[2D])([2D])[2D]
SPLASH splash10-00di-0000090000-57f8ec63503ed2707d35
Source of Spectrum B3-0-331-0
Wiley ID 1416328