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(3R,4S)-2-[(Trimethylsilyl)methyl]-4-[N-[(trimethylsilyl)methyl]-N-benzoylamino]-1-penten-3-yl (R)-methoxy(trifluoromethyl)phenylacetic acid ester

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

(3R,4S)-2-[(Trimethylsilyl)methyl]-4-[N-[(trimethylsilyl)methyl]-N-benzoylamino]-1-penten-3-yl (R)-methoxy(trifluoromethyl)phenylacetic acid ester
SpectraBase Compound ID JKuP6BcagNL
InChI InChI=1S/C30H42F3NO4Si2/c1-22(20-39(4,5)6)26(23(2)34(21-40(7,8)9)27(35)24-16-12-10-13-17-24)38-28(36)29(37-3,30(31,32)33)25-18-14-11-15-19-25/h10-19,23,26H,1,20-21H2,2-9H3/t23-,26+,29?/m0/s1
InChIKey NVWYNTKSKFUBMN-DYDTVPTHSA-N
Mol Weight 593.8 g/mol
Molecular Formula C30H42F3NO4Si2
Exact Mass 593.260446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im0ON0Thc0w
Name (3R,4S)-2-[(Trimethylsilyl)methyl]-4-[N-[(trimethylsilyl)methyl]-N-benzoylamino]-1-penten-3-yl (R)-methoxy(trifluoromethyl)phenylacetic acid ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.260446391 u
Formula C30H42F3NO4Si2
InChI InChI=1S/C30H42F3NO4Si2/c1-22(20-39(4,5)6)26(23(2)34(21-40(7,8)9)27(35)24-16-12-10-13-17-24)38-28(36)29(37-3,30(31,32)33)25-18-14-11-15-19-25/h10-19,23,26H,1,20-21H2,2-9H3/t23-,26+,29?/m0/s1
InChIKey NVWYNTKSKFUBMN-DYDTVPTHSA-N
Molecular Weight 593.834 g/mol
SMILES C(N([C@]([C@@](C(C[Si](C)(C)C)=C)(OC(C(C(F)(F)F)(C=1C=CC=CC1)OC)=O)[H])(C)[H])C[Si](C)(C)C)(=O)C1=CC=CC=C1