| SpectraBase Spectrum ID |
DkVLw56fFQ0 |
| Name |
Mesotrione |
| CAS Registry Number |
104206-82-8 |
| Classification |
Herbicide |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.041272930 u |
| Formula |
C14H13NO7S |
| InChI |
InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
| InChIKey |
KPUREKXXPHOJQT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.318 g/mol |
| Nominal Mass |
339 u |
| Quality |
965 |
| Retention Index |
2761 |
| SMILES |
C=1(C(=CC(S(=O)(=O)C)=CC1)[N+](=O)[O-])C(C1C(CCCC1=O)=O)=O |
| SPLASH |
splash10-0bta-2930000000-58019aef193423ada4e5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-Methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001935 |
