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10-hydroxy-2,4,6-octadecatrienoic acid PFB/TMS derivative
SpectraBase Compound ID JAZyjzEUjiF
InChI InChI=1S/C28H39F5O3Si/c1-5-6-7-8-11-14-17-21(36-37(2,3)4)18-15-12-9-10-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h9-10,12-13,16,19,21H,5-8,11,14-15,17-18,20H2,1-4H3/b12-9+,13-10-,19-16+
InChIKey RUVSFIGRYDDRBW-WJKBJOSTSA-N
Mol Weight 546.7 g/mol
Molecular Formula C28H39F5O3Si
Exact Mass 546.258862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0EDr1v2npk
Name 10-hydroxy-2,4,6-octadecatrienoic acid PFB/TMS derivative
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (2E,4Z,6E)-10-[(trimethylsilyl)oxy]-2,4,6-octadecatrienoate
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Formula C28H39F5O3Si
InChI InChI=1S/C28H39F5O3Si/c1-5-6-7-8-11-14-17-21(36-37(2,3)4)18-15-12-9-10-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h9-10,12-13,16,19,21H,5-8,11,14-15,17-18,20H2,1-4H3/b12-9+,13-10-,19-16+
InChIKey RUVSFIGRYDDRBW-WJKBJOSTSA-N
Molecular Weight 546.694 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(\C=C\C=C/C=C/CCC(O[Si](C)(C)C)CCCCCCCC)=O
SPLASH splash10-001l-9810000000-ee0e2d44158e42245ac2
Source of Spectrum O-31-236-0
Wiley ID 1405238