| SpectraBase Spectrum ID |
LPq9utdoER7 |
| Name |
(S,S,S)-2'-Hydroxy-1'-(hydroxymethyl)-2'-[(phenylethyl)ammonium] 3-hydroxy-2-(trifluoromethyl)propionate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18F3NO5 |
| InChI |
InChI=1S/C9H13NO2.C4H5F3O3/c10-8(6-11)9(12)7-4-2-1-3-5-7;5-4(6,7)2(1-8)3(9)10/h1-5,8-9,11-12H,6,10H2;2,8H,1H2,(H,9,10)/t8-,9-;2-/m11/s1 |
| InChIKey |
FOXZHKXOIQEDAD-CHLIGTRQSA-N |
| Molecular Weight |
325.284 g/mol |
| SMILES |
[NH3+][C@](CO)([C@@](c1ccccc1)(O)[H])[H].OC[C@@](C(F)(F)F)(C([O-])=O)[H] |
| SPLASH |
splash10-03di-9100000000-b319e2b4e94685a57fd8 |
| Source of Spectrum |
E2-50-22-0 |
| Wiley ID |
1520317 |
![(S,S,S)-2'-Hydroxy-1'-(hydroxymethyl)-2'-[(phenylethyl)ammonium] 3-hydroxy-2-(trifluoromethyl)propionate](/api/spectrum/LPq9utdoER7/structure.png?h=300&w=458 "(S,S,S)-2'-Hydroxy-1'-(hydroxymethyl)-2'-[(phenylethyl)ammonium] 3-hydroxy-2-(trifluoromethyl)propionate")
