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1-Butanone, 1-(4-fluorophenyl)-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-
SpectraBase Compound ID QRtsI2Cmd
InChI InChI=1S/C22H21FN4OS/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/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3
InChIKey MNJJSYUCIUHIKT-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C22H21FN4OS
Exact Mass 408.142011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXt2ztfB8p
Name 1-Butanone, 1-(4-fluorophenyl)-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FN4OS
InChI InChI=1S/C22H21FN4OS/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/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3
InChIKey MNJJSYUCIUHIKT-UHFFFAOYSA-N
Molecular Weight 408.495 g/mol
SMILES c12c(c3ccccc3[n]2CCC)nnc(n1)SCCCC(c1ccc(cc1)F)=O
SPLASH splash10-00di-3960000000-a0ee0e83a9c475da4de8
Source of Spectrum IY-1-4660-6
Synonyms 1-(4-fluorophenyl)-4-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-butanone 1-(4-fluorophenyl)-4-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Wiley ID 1654589