| SpectraBase Spectrum ID |
93fQuOmT7CC |
| Name |
Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3,3,3-D3)-, methyl ester, [S-(R*,R*)]- |
| Alternate Name(s) |
(S)-(+)-Methyl mandelate (2R)-[3,3,3-trideuterio]isobutyrate |
| CAS Registry Number |
119089-59-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13D3O4 |
| InChI |
InChI=1S/C13H16O4/c1-9(2)12(14)17-11(13(15)16-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m0/s1/i1D3/t9-,11+/m1 |
| InChIKey |
SKMZFNNBLCQUMV-YOXVEGDNSA-N |
| Molecular Weight |
239.285 g/mol |
| SMILES |
C(O[C@](C(=O)OC)(c1ccccc1)[H])(=O)[C@](C([2D])([2D])[2D])(C)[H] |
| SPLASH |
splash10-00dj-9000000000-6edf05c1889797c6b8ab |
| Source of Spectrum |
KC-1988-3206-0 |
| Wiley ID |
1238149 |
![Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3,3,3-D3)-, methyl ester, [S-(R*,R*)]-](/api/spectrum/93fQuOmT7CC/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3,3,3-D3)-, methyl ester, [S-(R*,R*)]-")
