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A2bHfUQSYGa
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A2bHfUQSYGa
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Pyridate
SpectraBase Compound ID 6Sfvy3yBsJz
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
Mol Weight 378.92 g/mol
Molecular Formula C19H23ClN2O2S
Exact Mass 378.116877 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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