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(E)-4-Amino-6-benzyl-3-(2-((2-chloroquinolin-3-yl)methylene)hydrazinyl)-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID 1UiEeIbKbGT
InChI InChI=1S/C20H16ClN7O/c21-18-15(11-14-8-4-5-9-16(14)24-18)12-23-26-20-27-25-17(19(29)28(20)22)10-13-6-2-1-3-7-13/h1-9,11-12H,10,22H2,(H,26,27)/b23-12+
InChIKey GVULTNJJVUACPT-FSJBWODESA-N
Mol Weight 405.85 g/mol
Molecular Formula C20H16ClN7O
Exact Mass 405.110486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CicOZvwV3KR
Name (E)-4-Amino-6-benzyl-3-(2-((2-chloroquinolin-3-yl)methylene)hydrazinyl)-1,2,4-triazin-5(4H)-one
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN7O
InChI InChI=1S/C20H16ClN7O/c21-18-15(11-14-8-4-5-9-16(14)24-18)12-23-26-20-27-25-17(19(29)28(20)22)10-13-6-2-1-3-7-13/h1-9,11-12H,10,22H2,(H,26,27)/b23-12+
InChIKey GVULTNJJVUACPT-FSJBWODESA-N
Instrument Name Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3322
Molecular Weight 405.849 g/mol
SMILES NN1C(C(=NN=C1N\N=C\c1c(nc2ccccc2c1)Cl)Cc1ccccc1)=O
SPLASH splash10-006x-5901000000-87c3577fa8082116a810
Source of Spectrum Y-55-SM16-6
Thin-Layer Chromatography Rf = 0.79 [pet. ether (60-80)/EtOAc (4:4)]
Wiley ID 1878927