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6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)[1,2,4]triazolo[4,3-b]pyridazine

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6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)[1,2,4]triazolo[4,3-b]pyridazine
SpectraBase Compound ID AS8l2e2dpuN
InChI InChI=1S/C17H9F13N6S/c1-6-5-7(2)32-11(31-6)37-9-4-3-8-33-34-10(36(8)35-9)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h3-5H,1-2H3
InChIKey PUZWJJVOHWYICU-UHFFFAOYSA-N
Mol Weight 576.34 g/mol
Molecular Formula C17H9F13N6S
Exact Mass 576.040182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YOMKhUTzR3
Name 6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)[1,2,4]triazolo[4,3-b]pyridazine
CAS Registry Number 296243-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9F13N6S
InChI InChI=1S/C17H9F13N6S/c1-6-5-7(2)32-11(31-6)37-9-4-3-8-33-34-10(36(8)35-9)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h3-5H,1-2H3
InChIKey PUZWJJVOHWYICU-UHFFFAOYSA-N
Molecular Weight 576.340 g/mol
SMILES c1(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[n]2c(C=CC(=N2)Sc2nc(C)cc(n2)C)nn1
SPLASH splash10-00or-9640040000-a2caa36c1a5eae80f70a
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazolo[4,3-b]pyridazine, 3-perfluorohexyl-6-(4,6-dimethyl-2-pyrimidyl)thio- 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]-[1,2,4]triazolo[4,3-b]pyridazine 6-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine 6-[(4,6-dimethylpyrimidin-2-yl)thio]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine
Wiley ID 1426401