| SpectraBase Spectrum ID |
GYDK5pChkSu |
| Name |
Mesotrion ME |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
353.345 g/mol |
| Nominal Mass |
353 u |
| Quality |
954 |
| Retention Index |
2873 |
| SMILES |
C1(C(C=2C(=CC(S(=O)(=O)C)=CC2)[N+](=O)[O-])=O)C(=CCCC1=O)OC |
| SPLASH |
splash10-0uxr-3955000000-30bb3f38920e62eeaa15 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methoxy-2-(4-(methylsulfonyl)-2-nitrobenzoyl)cyclohex-3-en-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001934 |
