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Monoheptyl phthalate, tbdms derivative
SpectraBase Compound ID 1GGBFnOH5q7
InChI InChI=1S/C21H34O4Si/c1-7-8-9-10-13-16-24-19(22)17-14-11-12-15-18(17)20(23)25-26(5,6)21(2,3)4/h11-12,14-15H,7-10,13,16H2,1-6H3
InChIKey MQIOYOONYWNPHH-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C21H34O4Si
Exact Mass 378.222636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NAwVXilHAs
Name Monoheptyl phthalate, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 378.222636106 u
Formula C21H34O4Si
InChI InChI=1S/C21H34O4Si/c1-7-8-9-10-13-16-24-19(22)17-14-11-12-15-18(17)20(23)25-26(5,6)21(2,3)4/h11-12,14-15H,7-10,13,16H2,1-6H3
InChIKey MQIOYOONYWNPHH-UHFFFAOYSA-N
Molecular Weight 378.584 g/mol
SMILES C1=CC=C(C(=C1)C(=O)OCCCCCCC)C(=O)O[Si](C)(C(C)(C)C)C