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(3R,4S)-1-(Trimethylsilyl)-4-[(N-benzoyl-N-[(trimethylsilyl)methyl]amino]-1(E)-penten-3-ol (S)-methoxy(trifluoromethyl)phenylacetic acid ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3R,4S)-1-(Trimethylsilyl)-4-[(N-benzoyl-N-[(trimethylsilyl)methyl]amino]-1(E)-penten-3-ol (S)-methoxy(trifluoromethyl)phenylacetic acid ester
SpectraBase Compound ID FQ68bzu1HoM
InChI InChI=1S/C29H40F3NO4Si2/c1-22(33(21-39(6,7)8)26(34)23-15-11-9-12-16-23)25(19-20-38(3,4)5)37-27(35)28(36-2,29(30,31)32)24-17-13-10-14-18-24/h9-20,22,25H,21H2,1-8H3/b20-19+/t22-,25+,28-/m0/s1
InChIKey HZEJFKJPLJOKDZ-CFKQTQKOSA-N
Mol Weight 579.8 g/mol
Molecular Formula C29H40F3NO4Si2
Exact Mass 579.244796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVhgkTcU0od
Name (3R,4S)-1-(Trimethylsilyl)-4-[(N-benzoyl-N-[(trimethylsilyl)methyl]amino]-1(E)-penten-3-ol (S)-methoxy(trifluoromethyl)phenylacetic acid ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.244796327 u
Formula C29H40F3NO4Si2
InChI InChI=1S/C29H40F3NO4Si2/c1-22(33(21-39(6,7)8)26(34)23-15-11-9-12-16-23)25(19-20-38(3,4)5)37-27(35)28(36-2,29(30,31)32)24-17-13-10-14-18-24/h9-20,22,25H,21H2,1-8H3/b20-19+/t22-,25+,28-/m0/s1
InChIKey HZEJFKJPLJOKDZ-CFKQTQKOSA-N
Molecular Weight 579.807 g/mol
SMILES C(N([C@]([C@](OC([C@](C(F)(F)F)(C=1C=CC=CC1)OC)=O)(\C=C\[Si](C)(C)C)[H])(C)[H])C[Si](C)(C)C)(=O)C1=CC=CC=C1