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4-{[(E)-(6-methyl-2,4,5-trioxo-5,6-dihydro-2H-pyrano[3,2-c]quinolin-3(4H)-ylidene)methyl]amino}benzonitrile
SpectraBase Compound ID 90pqobfBZ9v
InChI InChI=1S/C21H13N3O4/c1-24-16-5-3-2-4-14(16)19-17(20(24)26)18(25)15(21(27)28-19)11-23-13-8-6-12(10-22)7-9-13/h2-9,11,23H,1H3/b15-11+
InChIKey DTVPLMFCXBAHRY-RVDMUPIBSA-N
Mol Weight 371.35 g/mol
Molecular Formula C21H13N3O4
Exact Mass 371.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zsbx2yERfK
Name 4-{[(E)-(6-methyl-2,4,5-trioxo-5,6-dihydro-2H-pyrano[3,2-c]quinolin-3(4H)-ylidene)methyl]amino}benzonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13N3O4
InChI InChI=1S/C21H13N3O4/c1-24-16-5-3-2-4-14(16)19-17(20(24)26)18(25)15(21(27)28-19)11-23-13-8-6-12(10-22)7-9-13/h2-9,11,23H,1H3/b15-11+
InChIKey DTVPLMFCXBAHRY-RVDMUPIBSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3353
Molecular Weight 371.352 g/mol
SMILES N(\C=C\1C(OC2=C(C(N(C)c3c2cccc3)=O)C1=O)=O)c1ccc(cc1)C#N
SPLASH splash10-014l-5559000000-b4efdde8c25ca4e42a88
Source of Spectrum Y-55-2840-9
Wiley ID 1878970