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2-t-butyl-4-chloro-5[(3-(3-fluorophenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
SpectraBase Compound ID FkqKz06uswy
InChI InChI=1S/C16H15ClFN5OS/c1-16(2,3)23-14(24)12(17)11(8-19-23)25-15-20-13(21-22-15)9-5-4-6-10(18)7-9/h4-8H,1-3H3,(H,20,21,22)
InChIKey NZMYMYUAFZODDQ-UHFFFAOYSA-N
Mol Weight 379.84 g/mol
Molecular Formula C16H15ClFN5OS
Exact Mass 379.066987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXO7xiGRvtw
Name 2-t-butyl-4-chloro-5[(3-(3-fluorophenyl)-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClFN5OS
InChI InChI=1S/C16H15ClFN5OS/c1-16(2,3)23-14(24)12(17)11(8-19-23)25-15-20-13(21-22-15)9-5-4-6-10(18)7-9/h4-8H,1-3H3,(H,20,21,22)
InChIKey NZMYMYUAFZODDQ-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.216
Molecular Weight 379.841 g/mol
Quality 89
Reported Formula C16H15Cl(35)FN5OS
SMILES N1N=C(N=C1SC=1C=NN(C(C)(C)C)C(C1Cl)=O)C=1C=CC=C(C1)F
SPLASH splash10-01w0-0194000000-a637093d677dde315986
Source of Spectrum ARK-2003-144-3h (DOI: 10.3998/ark.5550190.0004.216)
Wiley ID 1899870