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2-dec-9-Enyl-3-hydroxypentanedioic acid, 3tms derivative
SpectraBase Compound ID E26pVsyLWmB
InChI InChI=1S/C24H50O5Si3/c1-11-12-13-14-15-16-17-18-19-21(24(26)29-32(8,9)10)22(27-30(2,3)4)20-23(25)28-31(5,6)7/h11,21-22H,1,12-20H2,2-10H3
InChIKey XXMZNUKLFHMZRK-UHFFFAOYSA-N
Mol Weight 502.9 g/mol
Molecular Formula C24H50O5Si3
Exact Mass 502.296604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDsuqcEjxAQ
Name 2-dec-9-Enyl-3-hydroxypentanedioic acid, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 502.296604310 u
Formula C24H50O5Si3
InChI InChI=1S/C24H50O5Si3/c1-11-12-13-14-15-16-17-18-19-21(24(26)29-32(8,9)10)22(27-30(2,3)4)20-23(25)28-31(5,6)7/h11,21-22H,1,12-20H2,2-10H3
InChIKey XXMZNUKLFHMZRK-UHFFFAOYSA-N
Molecular Weight 502.914 g/mol
SMILES C(C(C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)CCCCCCCCC=C)(=O)O[Si](C)(C)C