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2-t-Butyl-4-chloro-5[(3-(4-nitrophenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
SpectraBase Compound ID HcqXaN5tWrY
InChI InChI=1S/C16H15ClN6O3S/c1-16(2,3)22-14(24)12(17)11(8-18-22)27-15-19-13(20-21-15)9-4-6-10(7-5-9)23(25)26/h4-8H,1-3H3,(H,19,20,21)
InChIKey BTODYLGIWUHKJX-UHFFFAOYSA-N
Mol Weight 406.85 g/mol
Molecular Formula C16H15ClN6O3S
Exact Mass 406.061487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YQT8wRq1t5
Name 2-t-Butyl-4-chloro-5[(3-(4-nitrophenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN6O3S
InChI InChI=1S/C16H15ClN6O3S/c1-16(2,3)22-14(24)12(17)11(8-18-22)27-15-19-13(20-21-15)9-4-6-10(7-5-9)23(25)26/h4-8H,1-3H3,(H,19,20,21)
InChIKey BTODYLGIWUHKJX-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.216
Molecular Weight 406.848 g/mol
Quality 168
Reported Formula C16H15Cl(35)N6O3S
SMILES N1N=C(N=C1SC=1C=NN(C(C)(C)C)C(C1Cl)=O)C=1C=CC(=CC1)[N+]([O-])=O
SPLASH splash10-014i-0019000000-80d0c89459348e3f892a
Source of Spectrum ARK-2003-144-3c (DOI: 10.3998/ark.5550190.0004.216)
Wiley ID 1899865