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(2S,Ss)-2-[(1R)-1-(4-Methoxyphenylamino)-1-phenylmethyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 1TnKtdYEsoL
InChI InChI=1S/C21H19NO3S/c1-24-17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21-25-18-9-5-6-10-19(18)26(21)23/h2-14,20-22H,1H3/t20-,21+,26?/m1/s1
InChIKey GSRPWOXNTIRAFO-CFNLWSCMSA-N
Mol Weight 365.45 g/mol
Molecular Formula C21H19NO3S
Exact Mass 365.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46TzMok57yv
Name (2S,Ss)-2-[(1R)-1-(4-Methoxyphenylamino)-1-phenylmethyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3S
InChI InChI=1S/C21H19NO3S/c1-24-17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21-25-18-9-5-6-10-19(18)26(21)23/h2-14,20-22H,1H3/t20-,21+,26?/m1/s1
InChIKey GSRPWOXNTIRAFO-CFNLWSCMSA-N
Molecular Weight 365.447 g/mol
SMILES N([C@@]([C@@]1(S(c2c(cccc2)O1)=O)[H])(c1ccccc1)[H])c1ccc(cc1)OC
SPLASH splash10-03di-1490000000-0b75774c4a895599690e
Source of Spectrum U1-2002-3398-4
Wiley ID 1523304