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(E)-4-(3-(8-Methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-enyl)-1-(2-oxo-2-phenylethyl)pyridinium chloride
SpectraBase Compound ID 5NTF8uNi3rN
InChI InChI=1S/C26H20NO5.ClH/c1-31-24-9-5-8-20-16-21(26(30)32-25(20)24)22(28)11-10-18-12-14-27(15-13-18)17-23(29)19-6-3-2-4-7-19;/h2-16H,17H2,1H3;1H/q+1;/p-1/b11-10+;
InChIKey IVVOQNNHQJSWMS-ASTDGNLGSA-M
Mol Weight 461.9 g/mol
Molecular Formula C26H20ClNO5
Exact Mass 461.103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xEL20llcn6
Name (E)-4-(3-(8-Methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-enyl)-1-(2-oxo-2-phenylethyl)pyridinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClNO5
InChI InChI=1S/C26H20NO5.ClH/c1-31-24-9-5-8-20-16-21(26(30)32-25(20)24)22(28)11-10-18-12-14-27(15-13-18)17-23(29)19-6-3-2-4-7-19;/h2-16H,17H2,1H3;1H/q+1;/p-1/b11-10+;
InChIKey IVVOQNNHQJSWMS-ASTDGNLGSA-M
Literature Reference DOI 10.1002/ardp.201300080
Molecular Weight 461.901 g/mol
SMILES C(C(c1ccccc1)=O)[n+]1ccc(cc1)\C=C\C(=O)C=1C(Oc2c(cccc2C1)OC)=O.[Cl-]
SPLASH splash10-0ab9-3509100000-101838c2ed1a7ee3e4c4
Source of Spectrum APC-346-585-7c
Synonyms (E)-4-(3-(8-methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride 8-Methoxy-3-[(E)-1-oxo-3-(1-phenacyl-4-pyridin-1-iumyl)prop-2-enyl]-1-benzopyran-2-one;chloride 8-Methoxy-3-[(E)-3-(1-phenacylpyridin-1-ium-4-yl)prop-2-enoyl]chromen-2-one;chloride
Wiley ID 1769551