| SpectraBase Spectrum ID |
7AT3J7u0mDh |
| Name |
Me-pgema |
| Alternate Name(s) |
Mercapturic Acid Methyl Ester Phenyl Glycidyl Ether
Methyl 7-phenoxy-2-(acetylamino)-6-hydroxy-4-thiaheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21NO5S |
| InChI |
InChI=1S/C15H21NO5S/c1-11(17)16-14(15(19)20-2)10-22-9-12(18)8-21-13-6-4-3-5-7-13/h3-7,12,14,18H,8-10H2,1-2H3,(H,16,17) |
| InChIKey |
GVFHBADICPHHTP-UHFFFAOYSA-N |
| Molecular Weight |
327.395 g/mol |
| SMILES |
N(C(CSCC(COc1ccccc1)O)C(=O)OC)C(=O)C |
| SPLASH |
splash10-014i-0390000000-61fe3a5b55b75c640e05 |
| Source of Spectrum |
CRT-11-113-Me-PGEMA |
| Wiley ID |
1709799 |
