| SpectraBase Spectrum ID |
7IOHXBoW8Kk |
| Name |
(Trideuterio)-Mercapturic Acid Methyl Ester Phenyl Glycidyl ether |
| Alternate Name(s) |
Methyl 7-phenoxy-2-[N-(trideuterioacetyl)amino]-6-hydroxy-4-thiaheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18D3NO5S |
| 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)/i1D3 |
| InChIKey |
GVFHBADICPHHTP-FIBGUPNXSA-N |
| Molecular Weight |
330.413 g/mol |
| SMILES |
N(C(CSCC(COc1ccccc1)O)C(=O)OC)C(=O)C([2D])([2D])[2D] |
| SPLASH |
splash10-016r-0490000000-c10a2030bc847dc351c2 |
| Source of Spectrum |
CRT-11-113-Me-(2H3)-PGEMA |
| Wiley ID |
1709797 |
