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3-Amino-1-(7-chloroquinolin-4-yl)-5-(6,8-dimethylchromon-3-yl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 9II9ydxvNBv
InChI InChI=1S/C24H16ClN5O2/c1-12-7-13(2)23-16(8-12)22(31)18(11-32-23)21-17(10-26)24(27)29-30(21)20-5-6-28-19-9-14(25)3-4-15(19)20/h3-9,11H,1-2H3,(H2,27,29)
InChIKey JAPLDFSJPROSFA-UHFFFAOYSA-N
Mol Weight 441.88 g/mol
Molecular Formula C24H16ClN5O2
Exact Mass 441.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30irV5noTwI
Name 3-Amino-1-(7-chloroquinolin-4-yl)-5-(6,8-dimethylchromon-3-yl)-1H-pyrazole-4-carbonitrile
Appearance yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16ClN5O2
InChI InChI=1S/C24H16ClN5O2/c1-12-7-13(2)23-16(8-12)22(31)18(11-32-23)21-17(10-26)24(27)29-30(21)20-5-6-28-19-9-14(25)3-4-15(19)20/h3-9,11H,1-2H3,(H2,27,29)
InChIKey JAPLDFSJPROSFA-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3975
Molecular Weight 441.878 g/mol
SMILES Nc1n[n](c(c1C#N)C1=COc2c(cc(cc2C1=O)C)C)-c1ccnc2cc(ccc12)Cl
SPLASH splash10-03kl-1926400000-0ac23908efe002e2aa78
Source of Spectrum Y-57-2584-24
Wiley ID 1860205