SpectraBase Spectrum ID |
8xoxaZhbQjQ |
Name |
PYRIDATE |
CAS Registry Number |
55512-33-9 |
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 |
Nominal Mass |
378 u |
Number of Peaks |
126 |
SMILES |
c1(c(-c2ccccc2)nnc(Cl)c1)OC(SCCCCCCCC)=O |
SPLASH |
splash10-0a4i-9170000000-d0996617ddcb290c424c |
Source of Spectrum |
Dr. Rolf Kuehnle |
Synonyms |
O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl thiocarbonate |
Technique |
GC/MS |
Wiley ID |
WID_MSPA_4099 |