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7,10,13,16-Docosatetraenoic acid, (Z)-, tms derivative

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7,10,13,16-Docosatetraenoic acid, (Z)-, tms derivative
SpectraBase Compound ID 1fJFbMcmIWu
InChI InChI=1S/C25H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
InChIKey UPUAPRLJRNWCPX-SNPVRQPZSA-N
Mol Weight 404.7 g/mol
Molecular Formula C25H44O2Si
Exact Mass 404.311057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8IitAR0QBY
Name 7,10,13,16-Docosatetraenoic acid, (Z)-, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.311057190 u
Formula C25H44O2Si
InChI InChI=1S/C25H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
InChIKey UPUAPRLJRNWCPX-SNPVRQPZSA-N
Molecular Weight 404.710 g/mol
SMILES C(\C=C/C\C=C/C\C=C/CCCCC)\C=C/CCCCCC(=O)O[Si](C)(C)C