| SpectraBase Spectrum ID |
8H2JTiKY9jB |
| Name |
2-Methoxy-3-(ethylsulfonyl)pyridine and 1-methyl-3-(ethylsulfonyl)-2-pyridone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.045964389 u |
| Formula |
C8H11NO3S |
| InChI |
InChI=1S/C8H11NO3S/c1-3-13(11,12)7-5-4-6-9(2)8(7)10/h4-6H,3H2,1-2H3 |
| InChIKey |
WHZMLYYAPUCHMO-UHFFFAOYSA-N |
| Molecular Weight |
201.240 g/mol |
| SMILES |
C=1(S(=O)(=O)CC)C(N(C)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828024 |
