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Monononyl phthalate, tbdms derivative

View entire compound with spectra: 1 NMR

Monononyl phthalate, tbdms derivative
SpectraBase Compound ID 9htoyZ4gjxl
InChI InChI=1S/C23H38O4Si/c1-7-8-9-10-11-12-15-18-26-21(24)19-16-13-14-17-20(19)22(25)27-28(5,6)23(2,3)4/h13-14,16-17H,7-12,15,18H2,1-6H3
InChIKey JVOBCGLWMKLPKF-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C23H38O4Si
Exact Mass 406.253936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWizgOzPdLN
Name Monononyl phthalate, tbdms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.253936235 u
Formula C23H38O4Si
InChI InChI=1S/C23H38O4Si/c1-7-8-9-10-11-12-15-18-26-21(24)19-16-13-14-17-20(19)22(25)27-28(5,6)23(2,3)4/h13-14,16-17H,7-12,15,18H2,1-6H3
InChIKey JVOBCGLWMKLPKF-UHFFFAOYSA-N
Molecular Weight 406.638 g/mol
SMILES C1=CC=C(C(=C1)C(=O)OCCCCCCCCC)C(=O)O[Si](C)(C(C)(C)C)C