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2-t-Butyl-4-chloro-5[(3-phenyl-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
SpectraBase Compound ID ALrAKO74HfY
InChI InChI=1S/C16H16ClN5OS/c1-16(2,3)22-14(23)12(17)11(9-18-22)24-15-19-13(20-21-15)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20,21)
InChIKey XSHVVLLIAHSHTP-UHFFFAOYSA-N
Mol Weight 361.85 g/mol
Molecular Formula C16H16ClN5OS
Exact Mass 361.076409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV8R7VMu5xZ
Name 2-t-Butyl-4-chloro-5[(3-phenyl-1H-1,2,4-triazol-5yl)thio]pyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.076409028 u
Formula C16H16ClN5OS
InChI InChI=1S/C16H16ClN5OS/c1-16(2,3)22-14(23)12(17)11(9-18-22)24-15-19-13(20-21-15)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20,21)
InChIKey XSHVVLLIAHSHTP-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.216
Molecular Weight 361.851 g/mol
Quality 117
Reported Formula C16H16Cl(35)N5OS
SMILES N1N=C(N=C1SC=1C=NN(C(C)(C)C)C(C1Cl)=O)C=1C=CC=CC1
SPLASH splash10-00di-0193000000-87a723993cd55be7069c
Source of Spectrum ARK-2003-143-3a (DOI: 10.3998/ark.5550190.0004.216)
Wiley ID 1899863