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(Z)-9,10,11-Trihydroxyoctadec-12-enoic acid, 4tms derivative
SpectraBase Compound ID 3F6kVhbKlE6
InChI InChI=1S/C30H66O5Si4/c1-14-15-16-18-21-24-27(32-36(2,3)4)30(35-39(11,12)13)28(33-37(5,6)7)25-22-19-17-20-23-26-29(31)34-38(8,9)10/h21,24,27-28,30H,14-20,22-23,25-26H2,1-13H3/b24-21-
InChIKey LRSMJHGZZWRBKH-FLFQWRMESA-N
Mol Weight 619.2 g/mol
Molecular Formula C30H66O5Si4
Exact Mass 618.398731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbsd2Sf5SOX
Name (Z)-9,10,11-Trihydroxyoctadec-12-enoic acid, 4tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 618.398731360 u
Formula C30H66O5Si4
InChI InChI=1S/C30H66O5Si4/c1-14-15-16-18-21-24-27(32-36(2,3)4)30(35-39(11,12)13)28(33-37(5,6)7)25-22-19-17-20-23-26-29(31)34-38(8,9)10/h21,24,27-28,30H,14-20,22-23,25-26H2,1-13H3/b24-21-
InChIKey LRSMJHGZZWRBKH-FLFQWRMESA-N
Molecular Weight 619.193 g/mol
SMILES C(CCCCCCCC(C(C(\C=C/CCCCC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(=O)O[Si](C)(C)C