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Zipeprol, tms derivative

View entire compound with spectra: 1 NMR

Zipeprol, tms derivative
SpectraBase Compound ID DsqsgNFP7D6
InChI InChI=1S/C26H40N2O3Si/c1-29-24(22-12-8-6-9-13-22)20-27-16-18-28(19-17-27)21-25(31-32(3,4)5)26(30-2)23-14-10-7-11-15-23/h6-15,24-26H,16-21H2,1-5H3
InChIKey QWCDWFMDQJUWFB-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C26H40N2O3Si
Exact Mass 456.28082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVPl2JYlXIJ
Name Zipeprol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 456.280819688 u
Formula C26H40N2O3Si
InChI InChI=1S/C26H40N2O3Si/c1-29-24(22-12-8-6-9-13-22)20-27-16-18-28(19-17-27)21-25(31-32(3,4)5)26(30-2)23-14-10-7-11-15-23/h6-15,24-26H,16-21H2,1-5H3
InChIKey QWCDWFMDQJUWFB-UHFFFAOYSA-N
Molecular Weight 456.702 g/mol
SMILES C1N(CCN(C1)CC(C(C1=CC=CC=C1)OC)O[Si](C)(C)C)CC(OC)C1=CC=CC=C1