| SpectraBase Spectrum ID |
4I4KeAGgrPE |
| Name |
Me-o-CGMA |
| Alternate Name(s) |
Mercapturic Acid Methyl Ester ortho-Cresyl Glycidyl Ether
Methyl 7-(2'-methylphenoxy)-2-(acetylamino)-6-hydroxy-4-thiaheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23NO5S |
| InChI |
InChI=1S/C16H23NO5S/c1-11-6-4-5-7-15(11)22-8-13(19)9-23-10-14(16(20)21-3)17-12(2)18/h4-7,13-14,19H,8-10H2,1-3H3,(H,17,18) |
| InChIKey |
KCOFLTPKJUWWTP-UHFFFAOYSA-N |
| Molecular Weight |
341.422 g/mol |
| SMILES |
N(C(CSCC(COc1c(C)cccc1)O)C(=O)OC)C(=O)C |
| SPLASH |
splash10-00or-1940000000-bf1014fd651fbdfde08c |
| Source of Spectrum |
CRT-11-116-fig.3/D |
| Wiley ID |
1709787 |
