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8,8-Dimethyl-2-oxooctahydro-3A,7-ethanoindene-4-carboxylic acid, tms derivative
SpectraBase Compound ID 6WPvgut0nvN
InChI InChI=1S/C17H28O3Si/c1-16(2)10-17-9-11(18)8-14(17)12(16)6-7-13(17)15(19)20-21(3,4)5/h12-14H,6-10H2,1-5H3/t12-,13?,14?,17+/m0/s1
InChIKey QMPRAYOKORLQNU-VBRUCIBASA-N
Mol Weight 308.49 g/mol
Molecular Formula C17H28O3Si
Exact Mass 308.180771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQsgGGrzlZH
Name 8,8-Dimethyl-2-oxooctahydro-3A,7-ethanoindene-4-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 308.180771294 u
Formula C17H28O3Si
InChI InChI=1S/C17H28O3Si/c1-16(2)10-17-9-11(18)8-14(17)12(16)6-7-13(17)15(19)20-21(3,4)5/h12-14H,6-10H2,1-5H3/t12-,13?,14?,17+/m0/s1
InChIKey QMPRAYOKORLQNU-VBRUCIBASA-N
Molecular Weight 308.493 g/mol
SMILES C12[C@]3(C(CC[C@@]2(C(C3)(C)C)[H])C(O[Si](C)(C)C)=O)CC(C1)=O