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Methyl N-(N-benzyloxycarbonyl-N-methyl-L-alanyl)-o-tert-butyldimethylsilyl-L-serinate
SpectraBase Compound ID E8K0bvMUsm
InChI InChI=1S/C22H36N2O6Si/c1-16(24(5)21(27)29-14-17-12-10-9-11-13-17)19(25)23-18(20(26)28-6)15-30-31(7,8)22(2,3)4/h9-13,16,18H,14-15H2,1-8H3,(H,23,25)/t16-,18-/m0/s1
InChIKey QFXRIYZNNVCKKR-WMZOPIPTSA-N
Mol Weight 452.6 g/mol
Molecular Formula C22H36N2O6Si
Exact Mass 452.234263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjUWm8jFnZK
Name Methyl N-(N-benzyloxycarbonyl-N-methyl-L-alanyl)-o-tert-butyldimethylsilyl-L-serinate
Comments Computed using HOSE algorithm
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Exact Mass 452.234263416 u
Formula C22H36N2O6Si
InChI InChI=1S/C22H36N2O6Si/c1-16(24(5)21(27)29-14-17-12-10-9-11-13-17)19(25)23-18(20(26)28-6)15-30-31(7,8)22(2,3)4/h9-13,16,18H,14-15H2,1-8H3,(H,23,25)/t16-,18-/m0/s1
InChIKey QFXRIYZNNVCKKR-WMZOPIPTSA-N
Molecular Weight 452.623 g/mol
SMILES C(N[C@](C(=O)OC)(CO[Si](C(C)(C)C)(C)C)[H])([C@@](N(C(OCC1=CC=CC=C1)=O)C)(C)[H])=O