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N-[(E,1R,4S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[tert-butyl(diphenyl)silyl]oxy-pent-2-enyl]-2,2,2-trifluoro-acetamide
SpectraBase Compound ID JzUeO1Pob9F
InChI InChI=1S/C35H52F3NO5Si2/c1-25(44-46(33(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27)22-23-28(39-31(40)35(36,37)38)30-29(42-34(8,9)43-30)24-41-45(10,11)32(2,3)4/h12-23,25,28-30H,24H2,1-11H3,(H,39,40)/b23-22+/t25-,28+,29-,30-/m0/s1
InChIKey MBCQSRJOBGEJTM-DRVXNFOLSA-N
Mol Weight 680.0 g/mol
Molecular Formula C35H52F3NO5Si2
Exact Mass 679.333611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xN0HJY35w9
Name N-[(E,1R,4S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[tert-butyl(diphenyl)silyl]oxy-pent-2-enyl]-2,2,2-trifluoro-acetamide
Alternate Name(s) N-[(E,1R,4S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[tert-butyl(diphenyl)silyl]oxy-pent-2-enyl]-2,2,2-tris(fluoranyl)ethanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H52F3NO5Si2
InChI InChI=1S/C35H52F3NO5Si2/c1-25(44-46(33(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27)22-23-28(39-31(40)35(36,37)38)30-29(42-34(8,9)43-30)24-41-45(10,11)32(2,3)4/h12-23,25,28-30H,24H2,1-11H3,(H,39,40)/b23-22+/t25-,28+,29-,30-/m0/s1
InChIKey MBCQSRJOBGEJTM-DRVXNFOLSA-N
Molecular Weight 679.968 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@]([C@]1([C@@](OC(O1)(C)C)(CO[Si](C(C)(C)C)(C)C)[H])[H])(\C=C\[C@@](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C)[H])[H]
SPLASH splash10-03di-0000009000-51697cb75a9b139ad110
Source of Spectrum KC-0-3297-17
Wiley ID 829391