SpectraBase Spectrum ID |
A2bHfUQSYGa |
Name |
Pyridate |
Source of Sample |
Sigma-Aldrich Cat. #45312 |
CAS Registry Number |
55512-33-9 |
Classification |
Pesticides: Herbicides |
Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
378.116876861 u |
Formula |
C19H23ClN2O2S |
InChI |
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3 |
InChIKey |
JTZCTMAVMHRNTR-UHFFFAOYSA-N |
Molecular Weight |
378.918 g/mol |
Number of Peaks |
297 |
RI1 |
2930 |
SMILES |
c1(c(-c2ccccc2)nnc(Cl)c1)OC(SCCCCCCCC)=O |
SPLASH |
splash10-0a4i-9250000000-a47393970b07a096ab50 |
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 |
Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl ester |
Wiley ID |
LM_PEST_589 |