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#19A;3-Isoxazolecarboxylic-acid-5-[2-phenyl-2-hydroxy-(tert.-butyl-diphenylsilyl)-ethyl]-4-[2,2-aminonitrile-N,N-(allyl-trifluoroacetyl)-ethyl]-ethylester

View entire compound with spectra: 2 NMR

#19A;3-Isoxazolecarboxylic-acid-5-[2-phenyl-2-hydroxy-(tert.-butyl-diphenylsilyl)-ethyl]-4-[2,2-aminonitrile-N,N-(allyl-trifluoroacetyl)-ethyl]-ethylester
SpectraBase Compound ID DDzXb2WNSZc
InChI InChI=1S/C38H40F3N3O5Si/c1-6-23-44(36(46)38(39,40)41)28(26-42)24-31-33(48-43-34(31)35(45)47-7-2)25-32(27-17-11-8-12-18-27)49-50(37(3,4)5,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h6,8-22,28,32H,1,7,23-25H2,2-5H3/t28-,32-/m0/s1
InChIKey NWVIALLSXJLTDK-IUDBTDONSA-N
Mol Weight 703.8 g/mol
Molecular Formula C38H40F3N3O5Si
Exact Mass 703.268932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7EnUBwxJYJ
Name #19A;3-Isoxazolecarboxylic-acid-5-[2-phenyl-2-hydroxy-(tert.-butyl-diphenylsilyl)-ethyl]-4-[2,2-aminonitrile-N,N-(allyl-trifluoroacetyl)-ethyl]-ethylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 703.268932419 u
Formula C38H40F3N3O5Si
InChI InChI=1S/C38H40F3N3O5Si/c1-6-23-44(36(46)38(39,40)41)28(26-42)24-31-33(48-43-34(31)35(45)47-7-2)25-32(27-17-11-8-12-18-27)49-50(37(3,4)5,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h6,8-22,28,32H,1,7,23-25H2,2-5H3/t28-,32-/m0/s1
InChIKey NWVIALLSXJLTDK-IUDBTDONSA-N
Molecular Weight 703.834 g/mol
SMILES [C@](O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)(C1=CC=CC=C1)(CC1=C(C(=NO1)C(=O)OCC)C[C@@](C#N)(N(CC=C)C(=O)C(F)(F)F)[H])[H]