Diallate
13434
Reference
Diallate Structure
Systematic / IUPAC Name: S-[(Z)-2,3-Dichloroprop-2-enyl] N,N-di(propan-2-yl)carbamothioate
ID: Reference13434
Other Names: AA-1827
Formula: C10H17Cl2NOS
Class: Pesticides/Herbicides
Spectral Data
Diallate 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 | 569 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/2/2025 9:30:45 AM |
Identificators
| InChI | InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5- |
| InChI Key | SPANOECCGNXGNR-UITAMQMPSA-N |
| Canonical SMILES | CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl |
| CAS | |
| Splash | |
| Other Names | AA-1827 |
In Other Databases
| PubChem | 5284376 |