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25-Hydroxy-14,16-hentriacontanedione, 2tms derivative
SpectraBase Compound ID 9OIslrr1ozg
InChI InChI=1S/C37H76O3Si2/c1-9-11-13-15-16-17-18-19-20-25-29-33-37(40-42(6,7)8)34-35(38)30-26-23-21-22-24-28-32-36(39-41(3,4)5)31-27-14-12-10-2/h34,36H,9-33H2,1-8H3/b37-34-
InChIKey SAXPGHPMZNXDNF-LLLYXHGFSA-N
Mol Weight 625.2 g/mol
Molecular Formula C37H76O3Si2
Exact Mass 624.533299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdQVBPQX80J
Name 25-Hydroxy-14,16-hentriacontanedione, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 624.533299374 u
Formula C37H76O3Si2
InChI InChI=1S/C37H76O3Si2/c1-9-11-13-15-16-17-18-19-20-25-29-33-37(40-42(6,7)8)34-35(38)30-26-23-21-22-24-28-32-36(39-41(3,4)5)31-27-14-12-10-2/h34,36H,9-33H2,1-8H3/b37-34-
InChIKey SAXPGHPMZNXDNF-LLLYXHGFSA-N
Molecular Weight 625.182 g/mol
SMILES CCCCCCC(CCCCCCCCC(\C=C\(CCCCCCCCCCCCC)O[Si](C)(C)C)=O)O[Si](C)(C)C