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Mono-3,5,5-trimethylhexyl phthalate, tms derivative

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Mono-3,5,5-trimethylhexyl phthalate, tms derivative
SpectraBase Compound ID FIA5II7WRhd
InChI InChI=1S/C20H32O4Si/c1-15(14-20(2,3)4)12-13-23-18(21)16-10-8-9-11-17(16)19(22)24-25(5,6)7/h8-11,15H,12-14H2,1-7H3
InChIKey NDUFIPOLFVTFAM-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C20H32O4Si
Exact Mass 364.206986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yuTwTM5kHh
Name Mono-3,5,5-trimethylhexyl phthalate, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 364.206986041 u
Formula C20H32O4Si
InChI InChI=1S/C20H32O4Si/c1-15(14-20(2,3)4)12-13-23-18(21)16-10-8-9-11-17(16)19(22)24-25(5,6)7/h8-11,15H,12-14H2,1-7H3
InChIKey NDUFIPOLFVTFAM-UHFFFAOYSA-N
Molecular Weight 364.557 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCC(CC(C)(C)C)C)C(=O)O[Si](C)(C)C