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13-hydroxy-(9Z,11E)-octadecadienoic acid, PFB,TMS derivative
SpectraBase Compound ID 4x5FVN7Fu1n
InChI InChI=1S/C28H41F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h10,12,15,18,21H,5-9,11,13-14,16-17,19-20H2,1-4H3/b12-10-,18-15+
InChIKey HNSGBFQEDWVNJH-HCMZBRDFSA-N
Mol Weight 548.7 g/mol
Molecular Formula C28H41F5O3Si
Exact Mass 548.274513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GicusrQyxm
Name 13-hydroxy-(9Z,11E)-octadecadienoic acid, PFB,TMS derivative
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (9Z,11E)-13-[(trimethylsilyl)oxy]-9,11-octadecadienoate
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Formula C28H41F5O3Si
InChI InChI=1S/C28H41F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h10,12,15,18,21H,5-9,11,13-14,16-17,19-20H2,1-4H3/b12-10-,18-15+
InChIKey HNSGBFQEDWVNJH-HCMZBRDFSA-N
Molecular Weight 548.710 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCCCCCC\C=C/C=C/C(O[Si](C)(C)C)CCCCC
SPLASH splash10-0089-4910210000-190f81ad10d1f1ce75cf
Source of Spectrum JA-6-40-0
Wiley ID 1405432