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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 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
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