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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 (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4vPYn5uko3c
Name Pyridate
CAS Registry Number 55512-33-9
Collision Energy 15 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. 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
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 378.918 g/mol
Nominal Mass 378 u
Precursor Ion [M+H]+
Precursor m/z 379.124
SMILES C1(Cl)=NN=C(C(OC(SCCCCCCCC)=O)=C1)C1=CC=CC=C1
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Technique Q-TOF
Wiley ID MSforID_+_818.2
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