Isoxathion
13447
Reference
Isoxathion Structure
Systematic / IUPAC Name: Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
ID: Reference13447
Other Names: AA-1836
Formula: C13H16NO4PS
Class: Pesticides/Herbicides
Spectral Data
Isoxathion mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1655 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/2/2025 7:59:18 AM |
Identificators
| InChI | InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 |
| InChI Key | SDMSCIWHRZJSRN-UHFFFAOYSA-N |
| Canonical SMILES | CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2 |
| CAS | |
| Splash | |
| Other Names | AA-1836 |
In Other Databases
| PubChem | 29307 |