| SpectraBase Spectrum ID |
AFJUXP4Nk6r |
| Name |
(2S,ss)-2-[(1S)-1-Hydroxy-1-(phenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.050715417 u |
| Formula |
C14H12O3S |
| InChI |
InChI=1S/C14H12O3S/c15-13(10-6-2-1-3-7-10)14-17-11-8-4-5-9-12(11)18(14)16/h1-9,13-15H/t13?,14-,18?/m0/s1 |
| InChIKey |
NESPLFACRTUFGM-FVRSWCFKSA-N |
| Molecular Weight |
260.307 g/mol |
| SMILES |
[C@@]1(S(C=2C(O1)=CC=CC2)=O)(C(C1=CC=CC=C1)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824951 |
![(2S,ss)-2-[(1S)-1-Hydroxy-1-(phenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide](/api/spectrum/AFJUXP4Nk6r/structure.png?h=300&w=458 "(2S,ss)-2-[(1S)-1-Hydroxy-1-(phenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide")
