| SpectraBase Spectrum ID |
LZmX2wgg9Xs |
| Name |
(2S)-3,3,3-Trifluoro-2-(hydroxymethyl)propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
158.019078507 u |
| Formula |
C4H5F3O3 |
| InChI |
InChI=1S/C4H5F3O3/c5-4(6,7)2(1-8)3(9)10/h2,8H,1H2,(H,9,10)/t2-/m0/s1 |
| InChIKey |
PKKMMANRRSONBS-REOHCLBHSA-N |
| Molecular Weight |
158.076 g/mol |
| SMILES |
C([C@](CO)(C(F)(F)F)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80787 |
