| SpectraBase Spectrum ID |
B1AdWFZrBZz |
| Name |
Isoxaflutole |
| Source of Sample |
Sigma-Aldrich Cat. #46437 |
| CAS Registry Number |
141112-29-0 |
| Classification |
Pesticides: Herbicides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
359.043913529 u |
| Formula |
C15H12F3NO4S |
| InChI |
InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3 |
| InChIKey |
OYIKARCXOQLFHF-UHFFFAOYSA-N |
| Molecular Weight |
359.319 g/mol |
| Number of Peaks |
49 |
| RI1 |
2188 |
| SMILES |
c1(c(S(=O)(=O)C)cc(C(F)(F)F)cc1)C(c1c(C2CC2)onc1)=O |
| SPLASH |
splash10-001i-5191000000-dfcf455376f28cff8394 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- |
| Wiley ID |
LM_PEST_540 |
