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Monooctyl phthalate, tbdms derivative

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Monooctyl phthalate, tbdms derivative
SpectraBase Compound ID 1zHen8E6rGo
InChI InChI=1S/C22H36O4Si/c1-7-8-9-10-11-14-17-25-20(23)18-15-12-13-16-19(18)21(24)26-27(5,6)22(2,3)4/h12-13,15-16H,7-11,14,17H2,1-6H3
InChIKey KOCCGLNGTGZAAJ-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H36O4Si
Exact Mass 392.238286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQ8KbEKCmH8
Name Monooctyl phthalate, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 392.238286170 u
Formula C22H36O4Si
InChI InChI=1S/C22H36O4Si/c1-7-8-9-10-11-14-17-25-20(23)18-15-12-13-16-19(18)21(24)26-27(5,6)22(2,3)4/h12-13,15-16H,7-11,14,17H2,1-6H3
InChIKey KOCCGLNGTGZAAJ-UHFFFAOYSA-N
Molecular Weight 392.611 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)O[Si](C)(C(C)(C)C)C