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(.+/-.)-.alpha.-lipoic acid, benzyldimethylsilyl ester
SpectraBase Compound ID 46cYzSMA0kb
InChI InChI=1S/C17H26O2S2Si/c1-22(2,14-15-8-4-3-5-9-15)19-17(18)11-7-6-10-16-12-13-20-21-16/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKey ONCJZHMPVJNHEX-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C17H26O2S2Si
Exact Mass 354.114349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HrWGo4mFys
Name (.+/-.)-.alpha.-lipoic acid, benzyldimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.114348958 u
Formula C17H26O2S2Si
InChI InChI=1S/C17H26O2S2Si/c1-22(2,14-15-8-4-3-5-9-15)19-17(18)11-7-6-10-16-12-13-20-21-16/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKey ONCJZHMPVJNHEX-UHFFFAOYSA-N
Molecular Weight 354.598 g/mol
SMILES C1C(SSC1)CCCCC(O[Si](CC1=CC=CC=C1)(C)C)=O