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(2S)-4-Tert-butoxycarbonyl-1-carbobenzoxy-piperazine-2-carboxylic acid, tms
SpectraBase Compound ID 4BjCY6Uzm5l
InChI InChI=1S/C21H32N2O6Si/c1-21(2,3)28-19(25)22-12-13-23(17(14-22)18(24)29-30(4,5)6)20(26)27-15-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-/m0/s1
InChIKey IAOAJVPYKYFICA-KRWDZBQOSA-N
Mol Weight 436.6 g/mol
Molecular Formula C21H32N2O6Si
Exact Mass 436.202963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTTSVWRmmlT
Name (2S)-4-Tert-butoxycarbonyl-1-carbobenzoxy-piperazine-2-carboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 436.202963287 u
Formula C21H32N2O6Si
InChI InChI=1S/C21H32N2O6Si/c1-21(2,3)28-19(25)22-12-13-23(17(14-22)18(24)29-30(4,5)6)20(26)27-15-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-/m0/s1
InChIKey IAOAJVPYKYFICA-KRWDZBQOSA-N
Molecular Weight 436.580 g/mol
SMILES C(OCC1=CC=CC=C1)(=O)N1[C@](C(O[Si](C)(C)C)=O)(CN(CC1)C(OC(C)(C)C)=O)[H]