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4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(3-chlorobenzyl)pyridinium chloride
SpectraBase Compound ID L9BWnc2PuXl
InChI InChI=1S/C25H17ClN3O3.ClH/c26-17-5-3-4-15(12-17)14-29-10-8-16(9-11-29)21-19(13-27)24(28)32-23-18-6-1-2-7-20(18)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey KRTRNXPTGZACEK-UHFFFAOYSA-M
Mol Weight 478.34 g/mol
Molecular Formula C25H17Cl2N3O3
Exact Mass 477.064697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FScjwiUySh
Name 4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(3-chlorobenzyl)pyridinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17Cl2N3O3
InChI InChI=1S/C25H17ClN3O3.ClH/c26-17-5-3-4-15(12-17)14-29-10-8-16(9-11-29)21-19(13-27)24(28)32-23-18-6-1-2-7-20(18)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey KRTRNXPTGZACEK-UHFFFAOYSA-M
Literature Reference DOI 10.1016/j.ejmech.2013.07.038
Molecular Weight 478.335 g/mol
SMILES [Cl-].NC1=C(C(c2cc[n+](cc2)Cc2cc(ccc2)Cl)C=2C(Oc3ccccc3C2O1)=O)C#N
SPLASH splash10-0ki6-9630000000-d6ead127b5964fd81e69
Source of Spectrum EMC-68-267-6f
Synonyms 4-(2-amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c]chromen-4-yl)-1-(3-chlorobenzyl)pyridin-1-ium chloride 2-Amino-4-[1-[(3-chlorophenyl)methyl]-4-pyridin-1-iumyl]-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile;chloride 2-Amino-4-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride 2-Azanyl-4-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride
Wiley ID 1755195