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(2S,Ss)-2-[(1R)-1-(4-Methoxyphenyl)-1-(4-methoxyphenylamino)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID DjXoZEpaJel
InChI InChI=1S/C22H21NO4S/c1-25-17-11-7-15(8-12-17)21(23-16-9-13-18(26-2)14-10-16)22-27-19-5-3-4-6-20(19)28(22)24/h3-14,21-23H,1-2H3/t21-,22+,28?/m1/s1
InChIKey PZXOLARHJSGTMU-YDOMFUIGSA-N
Mol Weight 395.47 g/mol
Molecular Formula C22H21NO4S
Exact Mass 395.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hb4r8tNUARu
Name (2S,Ss)-2-[(1R)-1-(4-Methoxyphenyl)-1-(4-methoxyphenylamino)methyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4S
InChI InChI=1S/C22H21NO4S/c1-25-17-11-7-15(8-12-17)21(23-16-9-13-18(26-2)14-10-16)22-27-19-5-3-4-6-20(19)28(22)24/h3-14,21-23H,1-2H3/t21-,22+,28?/m1/s1
InChIKey PZXOLARHJSGTMU-YDOMFUIGSA-N
Molecular Weight 395.473 g/mol
SMILES N([C@@]([C@@]1(S(c2c(cccc2)O1)=O)[H])(c1ccc(cc1)OC)[H])c1ccc(cc1)OC
SPLASH splash10-0006-1490000000-99fa7b06f0dbd8e4541f
Source of Spectrum U1-2002-3398-4
Wiley ID 1523308