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Phloretic acid, 2tbdms derivative

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Phloretic acid, 2tbdms derivative
SpectraBase Compound ID 1AR1S0PZhIB
InChI InChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18-14-11-17(12-15-18)13-16-19(22)24-26(9,10)21(4,5)6/h11-12,14-15H,13,16H2,1-10H3
InChIKey IGVDMGCCKOIHCG-UHFFFAOYSA-N
Mol Weight 394.7 g/mol
Molecular Formula C21H38O3Si2
Exact Mass 394.235948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yvYs4Nhe7x
Name Phloretic acid, 2tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 394.235948151 u
Formula C21H38O3Si2
InChI InChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18-14-11-17(12-15-18)13-16-19(22)24-26(9,10)21(4,5)6/h11-12,14-15H,13,16H2,1-10H3
InChIKey IGVDMGCCKOIHCG-UHFFFAOYSA-N
Molecular Weight 394.702 g/mol
SMILES C1(=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)CCC(=O)O[Si](C)(C)C(C)(C)C