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(3E)-6-methyl-3-({[4-(1H-tetrazol-5-yl)phenyl]amino} methylidene)-2H-pyrano[3,2-c]quinoline-2,4,5(3H,6H)-trione
SpectraBase Compound ID jdUpOAGJNX
InChI InChI=1S/C21H14N6O4/c1-27-15-5-3-2-4-13(15)18-16(20(27)29)17(28)14(21(30)31-18)10-22-12-8-6-11(7-9-12)19-23-25-26-24-19/h2-10,22H,1H3,(H,23,24,25,26)/b14-10+
InChIKey BWOSLJYGTABKMH-GXDHUFHOSA-N
Mol Weight 414.38 g/mol
Molecular Formula C21H14N6O4
Exact Mass 414.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xErl8bSfHE
Name (3E)-6-methyl-3-({[4-(1H-tetrazol-5-yl)phenyl]amino} methylidene)-2H-pyrano[3,2-c]quinoline-2,4,5(3H,6H)-trione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O4
InChI InChI=1S/C21H14N6O4/c1-27-15-5-3-2-4-13(15)18-16(20(27)29)17(28)14(21(30)31-18)10-22-12-8-6-11(7-9-12)19-23-25-26-24-19/h2-10,22H,1H3,(H,23,24,25,26)/b14-10+
InChIKey BWOSLJYGTABKMH-GXDHUFHOSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3353
Molecular Weight 414.381 g/mol
SMILES N(\C=C\1C(OC2=C(C(N(C)c3c2cccc3)=O)C1=O)=O)c1ccc(-c2nnn[nH]2)cc1
SPLASH splash10-03xr-9631000000-46ff6bc17e6fe1002899
Source of Spectrum Y-55-2840-10
Wiley ID 1878951