| SpectraBase Spectrum ID |
9W6lmrNUr0y |
| Name |
(Trideuterio)-mercapturic acid methyl ester ortho-cresyl glycidyl ether |
| Alternate Name(s) |
Methyl 7-(2'-methylphenoxy)-2-[N-(trideuterioacetyl)amino]-6-hydroxy-4-thiaheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20D3NO5S |
| 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)/i2D3 |
| InChIKey |
KCOFLTPKJUWWTP-BMSJAHLVSA-N |
| Molecular Weight |
344.440 g/mol |
| SMILES |
N(C(CSCC(COc1c(C)cccc1)O)C(=O)OC)C(=O)C([2D])([2D])[2D] |
| SPLASH |
splash10-00or-0970000000-7bd3e6156a219c9d3891 |
| Source of Spectrum |
CRT-11-113-Me-(2H3)-o-CGEMA |
| Wiley ID |
1709796 |
