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(2R,Ss)-2-[(1S)-1-(4-Methylphenyl)-1-(4-methoxyphenylamino)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 4ZYDVuwvUTe
InChI InChI=1S/C22H21NO3S/c1-15-7-9-16(10-8-15)21(23-17-11-13-18(25-2)14-12-17)22-26-19-5-3-4-6-20(19)27(22)24/h3-14,21-23H,1-2H3/t21-,22+,27?/m0/s1
InChIKey RDRBYHSYVODOSG-QNWUEUMSSA-N
Mol Weight 379.47 g/mol
Molecular Formula C22H21NO3S
Exact Mass 379.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HvTlHKv9iP
Name (2R,Ss)-2-[(1S)-1-(4-Methylphenyl)-1-(4-methoxyphenylamino)methyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3S
InChI InChI=1S/C22H21NO3S/c1-15-7-9-16(10-8-15)21(23-17-11-13-18(25-2)14-12-17)22-26-19-5-3-4-6-20(19)27(22)24/h3-14,21-23H,1-2H3/t21-,22+,27?/m0/s1
InChIKey RDRBYHSYVODOSG-QNWUEUMSSA-N
Molecular Weight 379.474 g/mol
SMILES N([C@]([C@]1(S(c2c(cccc2)O1)=O)[H])(c1ccc(cc1)C)[H])c1ccc(cc1)OC
SPLASH splash10-004i-0093000000-b49f48d0b91a72eb4941
Source of Spectrum U1-2002-3398-7
Wiley ID 1523305