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(10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid, 4tms derivative
SpectraBase Compound ID KZpkyEgbzRF
InChI InChI=1S/C30H64O5Si4/c1-14-15-19-23-28(33-37(5,6)7)29(34-38(8,9)10)26-25-27(32-36(2,3)4)22-20-17-16-18-21-24-30(31)35-39(11,12)13/h15,19,25-29H,14,16-18,20-24H2,1-13H3/b19-15-,26-25+
InChIKey YVMUKXSNJZRZJB-GUBAVVPSSA-N
Mol Weight 617.2 g/mol
Molecular Formula C30H64O5Si4
Exact Mass 616.383081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoiziVQwdNv
Name (10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid, 4tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 616.383081296 u
Formula C30H64O5Si4
InChI InChI=1S/C30H64O5Si4/c1-14-15-19-23-28(33-37(5,6)7)29(34-38(8,9)10)26-25-27(32-36(2,3)4)22-20-17-16-18-21-24-30(31)35-39(11,12)13/h15,19,25-29H,14,16-18,20-24H2,1-13H3/b19-15-,26-25+
InChIKey YVMUKXSNJZRZJB-GUBAVVPSSA-N
Molecular Weight 617.177 g/mol
SMILES C(CCCCCCCC(\C=C\C(C(C\C=C/CC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(=O)O[Si](C)(C)C