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1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3tms derivative

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1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3tms derivative
SpectraBase Compound ID 5SkH8AUqtCP
InChI InChI=1S/C28H46O4Si3/c1-33(2,3)30-26-19-15-23(16-20-26)12-10-11-13-25(29)18-14-24-17-21-27(31-34(4,5)6)28(22-24)32-35(7,8)9/h15-17,19-22H,10-14,18H2,1-9H3
InChIKey TYNQDXVSJLEDHT-UHFFFAOYSA-N
Mol Weight 530.9 g/mol
Molecular Formula C28H46O4Si3
Exact Mass 530.27039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AequaJEpeCR
Name 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 530.270389562 u
Formula C28H46O4Si3
InChI InChI=1S/C28H46O4Si3/c1-33(2,3)30-26-19-15-23(16-20-26)12-10-11-13-25(29)18-14-24-17-21-27(31-34(4,5)6)28(22-24)32-35(7,8)9/h15-17,19-22H,10-14,18H2,1-9H3
InChIKey TYNQDXVSJLEDHT-UHFFFAOYSA-N
Molecular Weight 530.927 g/mol
SMILES C(CC(CCCCC1=CC=C(C=C1)O[Si](C)(C)C)=O)C1=CC(=C(C=C1)O[Si](C)(C)C)O[Si](C)(C)C