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2-Chloro-3-methyl-4-[[(1R,2S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-trimethylsilyloxy-propyl]amino]benzonitrile

View entire compound with spectra: 1 MS (GC)

2-Chloro-3-methyl-4-[[(1R,2S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-trimethylsilyloxy-propyl]amino]benzonitrile
SpectraBase Compound ID KsvREPJGVZE
InChI InChI=1S/C22H25ClN4O2Si/c1-14-18(12-11-17(13-24)19(14)23)25-20(15(2)29-30(3,4)5)22-27-26-21(28-22)16-9-7-6-8-10-16/h6-12,15,20,25H,1-5H3/t15-,20+/m0/s1
InChIKey NUHJKISOMHVLSC-MGPUTAFESA-N
Mol Weight 441.01 g/mol
Molecular Formula C22H25ClN4O2Si
Exact Mass 440.14353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q34YnXNdsp
Name 2-Chloro-3-methyl-4-[[(1R,2S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-trimethylsilyloxy-propyl]amino]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25ClN4O2Si
InChI InChI=1S/C22H25ClN4O2Si/c1-14-18(12-11-17(13-24)19(14)23)25-20(15(2)29-30(3,4)5)22-27-26-21(28-22)16-9-7-6-8-10-16/h6-12,15,20,25H,1-5H3/t15-,20+/m0/s1
InChIKey NUHJKISOMHVLSC-MGPUTAFESA-N
Literature Reference DOI 10.1002/rcm.6558
Molecular Weight 441.006 g/mol
SMILES N(c1c(c(c(cc1)C#N)Cl)C)[C@@](c1nnc(o1)-c1ccccc1)([C@@](O[Si](C)(C)C)(C)[H])[H]
SPLASH splash10-00r2-4649000000-5e0bd8444642c8fbf2d3
Source of Spectrum RCM-27-1175-Fig3(d)
Synonyms 2-Chloro-3-methyl-4-(((1R,2S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-((trimethylsilyl)oxy)propyl)amino)benzonitrile
Wiley ID 1820683