| SpectraBase Spectrum ID |
7O3lUbi3VS6 |
| Name |
(3S)-3-(3-methoxy-4-methylsulphonyloxyphenyl)(3-3H1)propionic acid |
| Comments |
Original formula: C11H13[3H]O6S |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O6S |
| InChI |
InChI=1S/C11H14O6S/c1-16-10-7-8(4-6-11(12)13)3-5-9(10)17-18(2,14)15/h3,5,7H,4,6H2,1-2H3,(H,12,13)/i4T/t4-/m0/s1 |
| InChIKey |
YFXWBNWUHOLLMJ-KJLKYTLPSA-N |
| Molecular Weight |
276.295 g/mol |
| SMILES |
OC(C[C@@](c1ccc(OS(=O)(=O)C)c(c1)OC)([3H])[H])=O |
| SPLASH |
splash10-0f6t-0940000000-459f085fe112acdaa0fb |
| Source of Spectrum |
KC-1976-1060-0 |
| Wiley ID |
1277672 |
