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12-Hydroxy-9-octadecenoic acid, PFB,TMS-D9 derivative
SpectraBase Compound ID 3mqKZGexO9D
InChI InChI=1S/C28H43F5O3Si/c1-5-6-7-14-17-21(36-37(2,3)4)18-15-12-10-8-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h12,15,21H,5-11,13-14,16-20H2,1-4H3/b15-12-/i2D3,3D3,4D3
InChIKey HEPMWPHLUNWNPS-QNOLDDHBSA-N
Mol Weight 559.8 g/mol
Molecular Formula C28H342D9F5O3Si
Exact Mass 559.346653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JKRsurMGNQ
Name 12-Hydroxy-9-octadecenoic acid, PFB,TMS-D9 derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34D9F5O3Si
InChI InChI=1S/C28H43F5O3Si/c1-5-6-7-14-17-21(36-37(2,3)4)18-15-12-10-8-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h12,15,21H,5-11,13-14,16-20H2,1-4H3/b15-12-/i2D3,3D3,4D3
InChIKey HEPMWPHLUNWNPS-QNOLDDHBSA-N
Molecular Weight 559.781 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCCCCCC\C=C/CC(O[Si](C([2D])([2D])[2D])(C([2D])([2D])[2D])C([2D])([2D])[2D])CCCCCC
SPLASH splash10-000t-2900000000-869f1b76c9dd2f8c189a
Source of Spectrum JA-6-40-0
Synonyms 12-Hydroxy-9-octadecenoic acid, PFB,TMS derivative
Wiley ID 1405693