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Mono-4-methylpentyl phthalate, tbdms derivative

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Mono-4-methylpentyl phthalate, tbdms derivative
SpectraBase Compound ID 6MaWWvNOvQh
InChI InChI=1S/C20H32O4Si/c1-15(2)11-10-14-23-18(21)16-12-8-9-13-17(16)19(22)24-25(6,7)20(3,4)5/h8-9,12-13,15H,10-11,14H2,1-7H3
InChIKey VUXGBDPWOHMFTB-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 7YdKgz86DII
Name Mono-4-methylpentyl phthalate, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 364.206986041 u
Formula C20H32O4Si
InChI InChI=1S/C20H32O4Si/c1-15(2)11-10-14-23-18(21)16-12-8-9-13-17(16)19(22)24-25(6,7)20(3,4)5/h8-9,12-13,15H,10-11,14H2,1-7H3
InChIKey VUXGBDPWOHMFTB-UHFFFAOYSA-N
Molecular Weight 364.557 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)O[Si](C(C)(C)C)(C)C