| SpectraBase Spectrum ID |
2VrQWa8zxBj |
| Name |
1-(4-Methylsulfonylphenyl)-2-propen-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.050715417 u |
| Formula |
C10H12O3S |
| InChI |
InChI=1S/C10H12O3S/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13/h3-7,10-11H,1H2,2H3 |
| InChIKey |
NKGKSQYGRPVLOT-UHFFFAOYSA-N |
| Molecular Weight |
212.263 g/mol |
| SMILES |
C(C=C)(O)C=1C=CC(=CC1)S(=O)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847244 |
