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5-(2-Acetoxy-12-hydroxytridecyl)-1,3-benzenediol, 3tms derivative
SpectraBase Compound ID 4DJtTvikXbP
InChI InChI=1S/C30H58O5Si3/c1-25(33-36(3,4)5)19-17-15-13-12-14-16-18-20-28(32-26(2)31)21-27-22-29(34-37(6,7)8)24-30(23-27)35-38(9,10)11/h22-25,28H,12-21H2,1-11H3
InChIKey KWVXVZXXDBOVJU-UHFFFAOYSA-N
Mol Weight 583.0 g/mol
Molecular Formula C30H58O5Si3
Exact Mass 582.359205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOycJbBlXRG
Name 5-(2-Acetoxy-12-hydroxytridecyl)-1,3-benzenediol, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 582.359204568 u
Formula C30H58O5Si3
InChI InChI=1S/C30H58O5Si3/c1-25(33-36(3,4)5)19-17-15-13-12-14-16-18-20-28(32-26(2)31)21-27-22-29(34-37(6,7)8)24-30(23-27)35-38(9,10)11/h22-25,28H,12-21H2,1-11H3
InChIKey KWVXVZXXDBOVJU-UHFFFAOYSA-N
Molecular Weight 583.044 g/mol
SMILES C1=C(C=C(C=C1O[Si](C)(C)C)CC(CCCCCCCCCC(C)O[Si](C)(C)C)OC(C)=O)O[Si](C)(C)C