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Hentriacontane-7,16,18-trione, tms derivative

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Hentriacontane-7,16,18-trione, tms derivative
SpectraBase Compound ID GIFxEJvTXIm
InChI InChI=1S/C34H66O3Si/c1-6-8-10-12-13-14-15-16-17-21-25-29-33(36)31-34(37-38(3,4)5)30-26-22-19-18-20-24-28-32(35)27-23-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-
InChIKey IDPPPRKAZSNMQT-NMSHJFGGSA-N
Mol Weight 551.0 g/mol
Molecular Formula C34H66O3Si
Exact Mass 550.478123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLg16fbODzW
Name Hentriacontane-7,16,18-trione, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 550.478122517 u
Formula C34H66O3Si
InChI InChI=1S/C34H66O3Si/c1-6-8-10-12-13-14-15-16-17-21-25-29-33(36)31-34(37-38(3,4)5)30-26-22-19-18-20-24-28-32(35)27-23-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-
InChIKey IDPPPRKAZSNMQT-NMSHJFGGSA-N
Molecular Weight 550.984 g/mol
SMILES CCCCCCC(=O)CCCCCCCC\C(=C\C(=O)CCCCCCCCCCCCC)O[Si](C)(C)C