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[7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3tms derivative

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[7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3tms derivative
SpectraBase Compound ID 78zuOVepQ8r
InChI InChI=1S/C30H50O5Si3/c1-24(31)32-27(19-15-25-16-20-28(21-17-25)33-36(2,3)4)14-12-11-13-26-18-22-29(34-37(5,6)7)30(23-26)35-38(8,9)10/h16-18,20-23,27H,11-15,19H2,1-10H3
InChIKey UNZPJCCJPDGJSW-UHFFFAOYSA-N
Mol Weight 575.0 g/mol
Molecular Formula C30H50O5Si3
Exact Mass 574.296604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jjehvled5RA
Name [7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 574.296604310 u
Formula C30H50O5Si3
InChI InChI=1S/C30H50O5Si3/c1-24(31)32-27(19-15-25-16-20-28(21-17-25)33-36(2,3)4)14-12-11-13-26-18-22-29(34-37(5,6)7)30(23-26)35-38(8,9)10/h16-18,20-23,27H,11-15,19H2,1-10H3
InChIKey UNZPJCCJPDGJSW-UHFFFAOYSA-N
Molecular Weight 574.980 g/mol
SMILES C1(=C(C=CC(=C1)CCCCC(CCC1=CC=C(C=C1)O[Si](C)(C)C)OC(=O)C)O[Si](C)(C)C)O[Si](C)(C)C