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 |