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5H-[1,2,4]Triazino[5,6-b]indole, 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(2-propenyl)-
SpectraBase Compound ID EgkPSUMw7C2
InChI InChI=1S/C19H12F3N5O2S/c1-2-9-26-13-6-4-3-5-12(13)16-17(26)23-18(25-24-16)30-15-8-7-11(19(20,21)22)10-14(15)27(28)29/h2-8,10H,1,9H2
InChIKey OWNWGZBJSPMCEU-UHFFFAOYSA-N
Mol Weight 431.39 g/mol
Molecular Formula C19H12F3N5O2S
Exact Mass 431.06638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BcDM31vA8
Name 5H-[1,2,4]Triazino[5,6-b]indole, 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(2-propenyl)-
Alternate Name(s) 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazino[5,6-b]indole 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
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Formula C19H12F3N5O2S
InChI InChI=1S/C19H12F3N5O2S/c1-2-9-26-13-6-4-3-5-12(13)16-17(26)23-18(25-24-16)30-15-8-7-11(19(20,21)22)10-14(15)27(28)29/h2-8,10H,1,9H2
InChIKey OWNWGZBJSPMCEU-UHFFFAOYSA-N
Molecular Weight 431.393 g/mol
SMILES C(F)(F)(F)c1ccc(c(c1)N(=O)=O)Sc1nc2c(nn1)c1c([n]2CC=C)cccc1
SPLASH splash10-000l-6913100000-30bbdd3d2c1550bf42b3
Source of Spectrum IY-1-4483-6
Wiley ID 1652819