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2-Decyl-3-hydroxypentanedioic acid, 3tms derivative
SpectraBase Compound ID BjBUZJMrOGZ
InChI InChI=1S/C24H52O5Si3/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/h21-22H,11-20H2,1-10H3
InChIKey RXDBSJGJIKYZJF-UHFFFAOYSA-N
Mol Weight 504.9 g/mol
Molecular Formula C24H52O5Si3
Exact Mass 504.312254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CX1MTM9LFL7
Name 2-Decyl-3-hydroxypentanedioic acid, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 504.312254374 u
Formula C24H52O5Si3
InChI InChI=1S/C24H52O5Si3/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/h21-22H,11-20H2,1-10H3
InChIKey RXDBSJGJIKYZJF-UHFFFAOYSA-N
Molecular Weight 504.930 g/mol
SMILES C(C(C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)CCCCCCCCCC)(=O)O[Si](C)(C)C