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2-t-Butyl-4-chloro-5[(3-(3,5-dimethylphenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
SpectraBase Compound ID 4MZLM4CifR0
InChI InChI=1S/C18H20ClN5OS/c1-10-6-11(2)8-12(7-10)15-21-17(23-22-15)26-13-9-20-24(18(3,4)5)16(25)14(13)19/h6-9H,1-5H3,(H,21,22,23)
InChIKey XYMHNBQVVAGXKZ-UHFFFAOYSA-N
Mol Weight 389.91 g/mol
Molecular Formula C18H20ClN5OS
Exact Mass 389.107709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HABa8vxF59Y
Name 2-t-Butyl-4-chloro-5[(3-(3,5-dimethylphenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20ClN5OS
InChI InChI=1S/C18H20ClN5OS/c1-10-6-11(2)8-12(7-10)15-21-17(23-22-15)26-13-9-20-24(18(3,4)5)16(25)14(13)19/h6-9H,1-5H3,(H,21,22,23)
InChIKey XYMHNBQVVAGXKZ-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.216
Molecular Weight 389.905 g/mol
Reported Formula C18H20Cl(35)N5OS
SMILES N1N=C(N=C1SC=1C=NN(C(C)(C)C)C(C1Cl)=O)C=1C=C(C=C(C1)C)C
SPLASH splash10-006t-0094000000-c4cf22b1558427d3263d
Source of Spectrum ARK-2003-144-3f (DOI: 10.3998/ark.5550190.0004.216)
Wiley ID 1899868