2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-(4-(trifluoromethyl)phenyl)prop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione

SpectraBase Compound ID	54FCrZL9Dzq
InChI	InChI=1S/C30H33F3N2O3Si/c1-28(2,3)39(4,5)38-25(18-15-20-13-16-21(17-14-20)30(31,32)33)29-19-9-8-12-24(29)35(29)34-26(36)22-10-6-7-11-23(22)27(34)37/h6-7,10-11,13-14,16-17,24-25H,8-9,12,19H2,1-5H3/t24-,25?,29+,35?/m0/s1
InChIKey	XKCQXZALPWUXOJ-NNFLUZNISA-N Google Search
Mol Weight	554.7 g/mol
Molecular Formula	C30H33F3N2O3Si
Exact Mass	554.221254 g/mol

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SpectraBase Spectrum ID	5hZk8dGtdXA
Name	2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-(4-(trifluoromethyl)phenyl)prop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H33F3N2O3Si
InChI	InChI=1S/C30H33F3N2O3Si/c1-28(2,3)39(4,5)38-25(18-15-20-13-16-21(17-14-20)30(31,32)33)29-19-9-8-12-24(29)35(29)34-26(36)22-10-6-7-11-23(22)27(34)37/h6-7,10-11,13-14,16-17,24-25H,8-9,12,19H2,1-5H3/t24-,25?,29+,35?/m0/s1
InChIKey	XKCQXZALPWUXOJ-NNFLUZNISA-N
Literature Reference DOI	10.1021/ol901649p
Molecular Weight	554.685 g/mol
SMILES	c12ccccc2C(N(N2[C@]3(CCCC[C@@]23C(C#Cc2ccc(cc2)C(F)(F)F)O[Si](C(C)(C)C)(C)C)[H])C1=O)=O
SPLASH	splash10-00di-9511000000-5f5883a7940cea8716dc
Source of Spectrum	A1-11-4002/SM11-6c
Synonyms	2-[(1S,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-7-azabicyclo[4.1.0]heptan-7-yl]isoindoline-1,3-dione 2-[(1S,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-7-azabicyclo[4.1.0]heptan-7-yl]isoindole-1,3-dione
Wiley ID	1757382