| SpectraBase Spectrum ID |
6gbiRjCEPKH |
| Name |
(2S,3R)-3-Mesyl-2-methyl-N-(4-methoxyphenyl)-7-octynamide |
| Alternate Name(s) |
(1S)-1-[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxoethyl]-5-hexynyl methanesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23NO5S |
| InChI |
InChI=1S/C17H23NO5S/c1-5-6-7-8-16(23-24(4,20)21)13(2)17(19)18-14-9-11-15(22-3)12-10-14/h1,9-13,16H,6-8H2,2-4H3,(H,18,19)/t13-,16+/m1/s1 |
| InChIKey |
KSJCAVORIBZJDR-CJNGLKHVSA-N |
| Molecular Weight |
353.433 g/mol |
| SMILES |
N(C([C@@]([C@@](OS(=O)(=O)C)(CCCC#C)[H])(C)[H])=O)c1ccc(cc1)OC |
| SPLASH |
splash10-00dj-1900000000-4c55461adc2549099eb4 |
| Source of Spectrum |
QC-8-1851-9 |
| Wiley ID |
869932 |
