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N-(1,5-dihydro-5-oxo-3-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-2-imino-2H-chromene-3-carboxamide
SpectraBase Compound ID 1nOKumAM0TO
InChI InChI=1S/C21H14N6O3/c22-18-14(10-13-8-4-5-9-15(13)30-18)20(29)23-16-11-17(28)27-19(25-26-21(27)24-16)12-6-2-1-3-7-12/h1-11,22H,(H,23,29)(H,24,26)
InChIKey LENZOQBNVQYSLA-UHFFFAOYSA-N
Mol Weight 398.38 g/mol
Molecular Formula C21H14N6O3
Exact Mass 398.112738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkOnO2fYMrf
Name N-(1,5-dihydro-5-oxo-3-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-2-imino-2H-chromene-3-carboxamide
Appearance Orange powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O3
InChI InChI=1S/C21H14N6O3/c22-18-14(10-13-8-4-5-9-15(13)30-18)20(29)23-16-11-17(28)27-19(25-26-21(27)24-16)12-6-2-1-3-7-12/h1-11,22H,(H,23,29)(H,24,26)
InChIKey LENZOQBNVQYSLA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2645
Molecular Weight 398.382 g/mol
SMILES N1N=C(N2C1=NC(=CC2=O)NC(C1=Cc2c(OC1=N)cccc2)=O)c1ccccc1
SPLASH splash10-0fbj-3849000000-10f57f5b87c605fd2d6a
Source of Spectrum Y-54-857-26
Wiley ID 1877950