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Caffeic acid, 3tbdms derivative

View entire compound with spectra: 1 NMR

Caffeic acid, 3tbdms derivative
SpectraBase Compound ID CZo56ni9hLB
InChI InChI=1S/C27H50O4Si3/c1-25(2,3)32(10,11)29-22-18-16-21(20-23(22)30-33(12,13)26(4,5)6)17-19-24(28)31-34(14,15)27(7,8)9/h16-20H,1-15H3/b19-17+
InChIKey JQQURVFIEYNWDO-HTXNQAPBSA-N
Mol Weight 522.9 g/mol
Molecular Formula C27H50O4Si3
Exact Mass 522.30169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4in2lwIljc4
Name Caffeic acid, 3tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 522.301689691 u
Formula C27H50O4Si3
InChI InChI=1S/C27H50O4Si3/c1-25(2,3)32(10,11)29-22-18-16-21(20-23(22)30-33(12,13)26(4,5)6)17-19-24(28)31-34(14,15)27(7,8)9/h16-20H,1-15H3/b19-17+
InChIKey JQQURVFIEYNWDO-HTXNQAPBSA-N
Molecular Weight 522.948 g/mol
SMILES C(\C=C\C=1C=C(O[Si](C(C)(C)C)(C)C)C(=CC1)O[Si](C(C)(C)C)(C)C)(=O)O[Si](C(C)(C)C)(C)C