| SpectraBase Spectrum ID |
6dzOvDI903a |
| Name |
(3S,5S)-5-(Hydroxymethyl)-3-(trifluoromethyl)-2-oxolanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.034728571 u |
| Formula |
C6H7F3O3 |
| InChI |
InChI=1S/C6H7F3O3/c7-6(8,9)4-1-3(2-10)12-5(4)11/h3-4,10H,1-2H2/t3-,4-/m0/s1 |
| InChIKey |
WZEMMRTUVDLCKZ-IMJSIDKUSA-N |
| Molecular Weight |
184.114 g/mol |
| SMILES |
[C@@]1(C(O[C@@](C1)(CO)[H])=O)(C(F)(F)F)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847326 |
