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(2S,Ss)-2-[(1S)-1-(4-Methoxyphenylamino)-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide

View entire compound with spectra: 1 MS (GC)

(2S,Ss)-2-[(1S)-1-(4-Methoxyphenylamino)-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 5yOo009f6wP
InChI InChI=1S/C22H18F3NO3S/c1-28-17-12-10-16(11-13-17)26-20(14-6-8-15(9-7-14)22(23,24)25)21-29-18-4-2-3-5-19(18)30(21)27/h2-13,20-21,26H,1H3/t20-,21-,30?/m0/s1
InChIKey APPQBMMCXCOSDA-BOGRATPZSA-N
Mol Weight 433.45 g/mol
Molecular Formula C22H18F3NO3S
Exact Mass 433.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MKDKMdYOkI
Name (2S,Ss)-2-[(1S)-1-(4-Methoxyphenylamino)-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F3NO3S
InChI InChI=1S/C22H18F3NO3S/c1-28-17-12-10-16(11-13-17)26-20(14-6-8-15(9-7-14)22(23,24)25)21-29-18-4-2-3-5-19(18)30(21)27/h2-13,20-21,26H,1H3/t20-,21-,30?/m0/s1
InChIKey APPQBMMCXCOSDA-BOGRATPZSA-N
Molecular Weight 433.445 g/mol
SMILES N([C@]([C@@]1(S(c2c(cccc2)O1)=O)[H])(c1ccc(C(F)(F)F)cc1)[H])c1ccc(cc1)OC
SPLASH splash10-001i-1690000000-05a234c3b5d79513cf66
Source of Spectrum U1-2002-3399-5
Wiley ID 1523296