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2-t-Butyl-4-chloro-5[(3-(3-methoxyphenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
SpectraBase Compound ID 7g7WdWmCUB6
InChI InChI=1S/C17H18ClN5O2S/c1-17(2,3)23-15(24)13(18)12(9-19-23)26-16-20-14(21-22-16)10-7-5-6-8-11(10)25-4/h5-9H,1-4H3,(H,20,21,22)
InChIKey KEJGFXAQFMDZNU-UHFFFAOYSA-N
Mol Weight 391.88 g/mol
Molecular Formula C17H18ClN5O2S
Exact Mass 391.086974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96ehgUpHH14
Name 2-t-Butyl-4-chloro-5[(3-(3-methoxyphenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.086973712 u
Formula C17H18ClN5O2S
InChI InChI=1S/C17H18ClN5O2S/c1-17(2,3)23-15(24)13(18)12(9-19-23)26-16-20-14(21-22-16)10-7-5-6-8-11(10)25-4/h5-9H,1-4H3,(H,20,21,22)
InChIKey KEJGFXAQFMDZNU-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.216
Molecular Weight 391.877 g/mol
Quality 60
Reported Formula C17H18Cl(37)N5O2S
SMILES N1N=C(N=C1SC=1C=NN(C(C)(C)C)C(C1Cl)=O)C=1C=CC=CC1OC
SPLASH splash10-0uk9-0039000000-342aa99fff8df893ad3b
Source of Spectrum ARK-2003-144-3b (DOI: 10.3998/ark.5550190.0004.216)
Wiley ID 1899864