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Mono-2-ethylbutyl phthalate, tbdms derivative
SpectraBase Compound ID GrYB0POYNSH
InChI InChI=1S/C20H32O4Si/c1-8-15(9-2)14-23-18(21)16-12-10-11-13-17(16)19(22)24-25(6,7)20(3,4)5/h10-13,15H,8-9,14H2,1-7H3
InChIKey XPQVHUGTFQBBEI-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 3JcTj3dowXf
Name Mono-2-ethylbutyl phthalate, tbdms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.206986041 u
Formula C20H32O4Si
InChI InChI=1S/C20H32O4Si/c1-8-15(9-2)14-23-18(21)16-12-10-11-13-17(16)19(22)24-25(6,7)20(3,4)5/h10-13,15H,8-9,14H2,1-7H3
InChIKey XPQVHUGTFQBBEI-UHFFFAOYSA-N
Molecular Weight 364.557 g/mol
SMILES C1=CC=C(C(=C1)C(=O)OCC(CC)CC)C(=O)O[Si](C)(C(C)(C)C)C