| SpectraBase Spectrum ID |
AQMNfI8EFyG |
| Name |
Nitralin |
| Source of Sample |
Sigma-Aldrich Cat. #36178 |
| CAS Registry Number |
4726-14-1 |
| 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 |
345.099456512 u |
| Formula |
C13H19N3O6S |
| 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 |
| InChIKey |
UMKANAFDOQQUKE-UHFFFAOYSA-N |
| Molecular Weight |
345.370 g/mol |
| Number of Peaks |
48 |
| RI1 |
2408 |
| SMILES |
c1c(c(c(cc1S(C)(=O)=O)N(=O)=O)N(CCC)CCC)N(=O)=O |
| SPLASH |
splash10-01bc-9267000000-e5c507dfe8a4e8f46908 |
| 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 |
Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl- |
| Wiley ID |
LM_PEST_545 |
