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1-Pyrrolidinamine, N-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-phenyl-1-[1-phenyl-4-[(trimethylsilyl)oxy]butyl]hexylidene]-2-(methoxymethyl)-, [2S-[1[1Z(S*),2S*],2R*]]-
SpectraBase Compound ID DIToovTR8zF
InChI InChI=1S/C37H62N2O3Si2/c1-37(2,3)44(8,9)42-28-17-16-25-34(31-20-12-10-13-21-31)36(38-39-27-18-24-33(39)30-40-4)35(32-22-14-11-15-23-32)26-19-29-41-43(5,6)7/h10-15,20-23,33-35H,16-19,24-30H2,1-9H3/b38-36+/t33-,34?,35+/m0/s1
InChIKey BCGDLSJOBUPCBT-NQHHZUEDSA-N
Mol Weight 639.1 g/mol
Molecular Formula C37H62N2O3Si2
Exact Mass 638.429897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bpTGvqaR3v
Name 1-Pyrrolidinamine, N-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-phenyl-1-[1-phenyl-4-[(trimethylsilyl)oxy]butyl]hexylidene]-2-(methoxymethyl)-, [2S-[1[1Z(S*),2S*],2R*]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.429896931 u
Formula C37H62N2O3Si2
InChI InChI=1S/C37H62N2O3Si2/c1-37(2,3)44(8,9)42-28-17-16-25-34(31-20-12-10-13-21-31)36(38-39-27-18-24-33(39)30-40-4)35(32-22-14-11-15-23-32)26-19-29-41-43(5,6)7/h10-15,20-23,33-35H,16-19,24-30H2,1-9H3/b38-36+/t33-,34?,35+/m0/s1
InChIKey BCGDLSJOBUPCBT-NQHHZUEDSA-N
Molecular Weight 639.084 g/mol
SMILES [C@@](\C(=N\N1[C@](COC)(CCC1)[H])C(C=1C=CC=CC1)CCCCO[Si](C(C)(C)C)(C)C)(C=1C=CC=CC1)(CCCO[Si](C)(C)C)[H]