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6-Oxocativic acid, tms derivative

View entire compound with spectra: 1 NMR

6-Oxocativic acid, tms derivative
SpectraBase Compound ID Bgu1hj0TLQi
InChI InChI=1S/C23H40O3Si/c1-16(14-20(25)26-27(6,7)8)10-11-18-17(2)15-19(24)21-22(3,4)12-9-13-23(18,21)5/h15-16,18,21H,9-14H2,1-8H3/t16-,18-,21-,23+/m0/s1
InChIKey HTSGFMFDUOBOAH-DJTDUFQSSA-N
Mol Weight 392.7 g/mol
Molecular Formula C23H40O3Si
Exact Mass 392.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84xSjg4DdjN
Name 6-Oxocativic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 392.274671680 u
Formula C23H40O3Si
InChI InChI=1S/C23H40O3Si/c1-16(14-20(25)26-27(6,7)8)10-11-18-17(2)15-19(24)21-22(3,4)12-9-13-23(18,21)5/h15-16,18,21H,9-14H2,1-8H3/t16-,18-,21-,23+/m0/s1
InChIKey HTSGFMFDUOBOAH-DJTDUFQSSA-N
Molecular Weight 392.655 g/mol
SMILES [C@]1(C(=CC([C@@]2([C@]1(C)CCCC2(C)C)[H])=O)C)(CC[C@@](CC(=O)O[Si](C)(C)C)(C)[H])[H]