| SpectraBase Spectrum ID |
9ePit98dSbN |
| Name |
[2S]-2-[(1S)-1'-(p-phenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.053749939 u |
| Formula |
C16H13F3O3S |
| InChI |
InChI=1S/C16H13F3O3S/c1-15(20,10-6-8-11(9-7-10)16(17,18)19)14-22-12-4-2-3-5-13(12)23(14)21/h2-9,14,20H,1H3/t14?,15-,23?/m0/s1 |
| InChIKey |
YDIFXAMGTCFRCP-VZSHHBOJSA-N |
| Molecular Weight |
342.332 g/mol |
| SMILES |
C1(S(C2=CC=CC=C2O1)=O)[C@](C=1C=CC(C(F)(F)F)=CC1)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945354 |
![[2S]-2-[(1S)-1'-(p-<Trifluoromethyl>phenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide](/api/spectrum/9ePit98dSbN/structure.png?h=300&w=458 "[2S]-2-[(1S)-1'-(p-<Trifluoromethyl>phenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide")
