| SpectraBase Spectrum ID |
8Z9mUam4JFT |
| Name |
Mesotrion me |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.056922994 u |
| Formula |
C15H15NO7S |
| InChI |
InChI=1S/C15H15NO7S/c1-23-13-5-3-4-12(17)14(13)15(18)10-7-6-9(24(2,21)22)8-11(10)16(19)20/h5-8,14H,3-4H2,1-2H3 |
| InChIKey |
ATWRLCAMDFGICA-UHFFFAOYSA-N |
| Molecular Weight |
353.345 g/mol |
| SMILES |
C1(C(C=2C(=CC(S(=O)(=O)C)=CC2)[N+](=O)[O-])=O)C(=CCCC1=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827186 |
