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5,10,11,11a-Tetrahydro-5-methyl-4a-methylthio-1,4-bis(trifluoromethyl)-4aH-pyridazino[4,5-b][1]benzazepine
SpectraBase Compound ID Gz2fmPOVFKo
InChI InChI=1S/C16H15F6N3S/c1-25-11-6-4-3-5-9(11)7-8-10-12(15(17,18)19)23-24-13(16(20,21)22)14(10,25)26-2/h3-6,10H,7-8H2,1-2H3
InChIKey UQBSEJWFEVBILJ-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C16H15F6N3S
Exact Mass 395.089088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfGCNGc4JOT
Name 5,10,11,11a-Tetrahydro-5-methyl-4a-methylthio-1,4-bis(trifluoromethyl)-4aH-pyridazino[4,5-b][1]benzazepine
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Formula C16H15F6N3S
InChI InChI=1S/C16H15F6N3S/c1-25-11-6-4-3-5-9(11)7-8-10-12(15(17,18)19)23-24-13(16(20,21)22)14(10,25)26-2/h3-6,10H,7-8H2,1-2H3
InChIKey UQBSEJWFEVBILJ-UHFFFAOYSA-N
Molecular Weight 395.367 g/mol
SMILES C12(C(C(C(F)(F)F)=NN=C2C(F)(F)F)CCc2c(N1C)cccc2)SC
SPLASH splash10-0002-0009000000-8f8df334d04302aa190c
Source of Spectrum H1-43-1973-15
Synonyms 5-Methyl-4a-(methylsulfanyl)-1,4-bis(trifluoromethyl)-5,10,11,11a-tetrahydro-4aH-pyridazino[4,5-b][1]benzazepine Methyl 5-methyl-1,4-bis(trifluoromethyl)-5,10,11,11a-tetrahydro-4aH-pyridazino[4,5-b][1]benzazepin-4a-yl sulfide
Wiley ID 757958