Nitralin
2457
Reference
Nitralin Structure
Systematic / IUPAC Name: 4-Methylsulfonyl-2,6-dinitro-N,N-dipropylaniline
ID: Reference2457
Other Names:
Planavin;
Niralin;
Nitraline;
Planuin;
Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
; more
Formula: C13H19N3O6S
Class: Pesticides/Herbicides
Spectral Data
Nitralin 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 ; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 7785 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 3/16/2015 1:14:57 PM |
Identificators
| InChI | InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3 |
| InChI Key | UMKANAFDOQQUKE-UHFFFAOYSA-N |
| Canonical SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
| CAS | 4726141 |
| Splash | |
| Other Names |
Planavin; Niralin; Nitraline; Planuin; Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-; Aniline, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-; 2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline; 2,6-Dinitro-N,N-dipropyl-4-(methylsulfonyl)benzenamine; 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine; Aniline, 2,6-dinitro-N,N-dipropyl-4-(methylsulfonyl)-; Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(methylsulfonlyl)- |