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(E)-N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide, 3tms derivative
SpectraBase Compound ID 6p9eNUKUiUI
InChI InChI=1S/C26H41NO4Si3/c1-32(2,3)29-23-15-10-21(11-16-23)12-19-26(28)27-20-25(31-34(7,8)9)22-13-17-24(18-14-22)30-33(4,5)6/h10-19,25H,20H2,1-9H3,(H,27,28)/b19-12+
InChIKey PJQPNMZMISMZAK-XDHOZWIPSA-N
Mol Weight 515.9 g/mol
Molecular Formula C26H41NO4Si3
Exact Mass 515.234338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ABuMTBY1sw
Name (E)-N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 515.234338405 u
Formula C26H41NO4Si3
InChI InChI=1S/C26H41NO4Si3/c1-32(2,3)29-23-15-10-21(11-16-23)12-19-26(28)27-20-25(31-34(7,8)9)22-13-17-24(18-14-22)30-33(4,5)6/h10-19,25H,20H2,1-9H3,(H,27,28)/b19-12+
InChIKey PJQPNMZMISMZAK-XDHOZWIPSA-N
Molecular Weight 515.872 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)O[Si](C)(C)C)(=O)NCC(C1=CC=C(C=C1)O[Si](C)(C)C)O[Si](C)(C)C