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3-Hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid, 3tms derivative

View entire compound with spectra: 1 NMR

3-Hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid, 3tms derivative
SpectraBase Compound ID BWEtthcoskH
InChI InChI=1S/C22H46O5Si3/c1-11-12-13-14-15-16-17-19(22(24)27-30(8,9)10)20(25-28(2,3)4)18-21(23)26-29(5,6)7/h15-16,19-20H,11-14,17-18H2,1-10H3/b16-15-
InChIKey QXPRQOMSAIPJBK-NXVVXOECSA-N
Mol Weight 474.9 g/mol
Molecular Formula C22H46O5Si3
Exact Mass 474.265304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlnTohtm6cc
Name 3-Hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 474.265304181 u
Formula C22H46O5Si3
InChI InChI=1S/C22H46O5Si3/c1-11-12-13-14-15-16-17-19(22(24)27-30(8,9)10)20(25-28(2,3)4)18-21(23)26-29(5,6)7/h15-16,19-20H,11-14,17-18H2,1-10H3/b16-15-
InChIKey QXPRQOMSAIPJBK-NXVVXOECSA-N
Molecular Weight 474.860 g/mol
SMILES C[Si](OC(C(C(O[Si](C)(C)C)CC(O[Si](C)(C)C)=O)C\C=C/CCCCC)=O)(C)C