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1-Butanone, 1-(4-fluorophenyl)-4-[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-
SpectraBase Compound ID 8dKvxc5cZxq
InChI InChI=1S/C22H19FN4OS/c1-2-13-27-18-7-4-3-6-17(18)20-21(27)24-22(26-25-20)29-14-5-8-19(28)15-9-11-16(23)12-10-15/h2-4,6-7,9-12H,1,5,8,13-14H2
InChIKey GKBRWFMLAWBTKT-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H19FN4OS
Exact Mass 406.126361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iv6sUo3BQbV
Name 1-Butanone, 1-(4-fluorophenyl)-4-[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-
Alternate Name(s) 1-(4-fluorophenyl)-4-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-butanone 4-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one 1-(4-fluorophenyl)-4-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
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Formula C22H19FN4OS
InChI InChI=1S/C22H19FN4OS/c1-2-13-27-18-7-4-3-6-17(18)20-21(27)24-22(26-25-20)29-14-5-8-19(28)15-9-11-16(23)12-10-15/h2-4,6-7,9-12H,1,5,8,13-14H2
InChIKey GKBRWFMLAWBTKT-UHFFFAOYSA-N
Molecular Weight 406.479 g/mol
SMILES c12c(c3ccccc3[n]2CC=C)nnc(n1)SCCCC(c1ccc(cc1)F)=O
SPLASH splash10-00dj-6940000000-6b53719e123355a2f487
Source of Spectrum IY-1-4667-8
Wiley ID 1654661