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1-(8-hydroxyquinolin-5-yl)ethanone; sulfuric acid
SpectraBase Compound ID LPWxJiJcy3J
InChI InChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)
InChIKey CDEWHBGYSWJUFP-UHFFFAOYSA-N
Mol Weight 472.47 g/mol
Molecular Formula C22H20N2O8S
Exact Mass 472.094037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYRxd1VYKNh
Name 1-(8-hydroxyquinolin-5-yl)ethanone; sulfuric acid
CAS Registry Number 57130-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O8S
InChI InChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)
InChIKey CDEWHBGYSWJUFP-UHFFFAOYSA-N
Molecular Weight 472.468 g/mol
SMILES Oc1ccc(c2c1[nH+]ccc2)C(=O)C.S([O-])([O-])(=O)=O.Oc1ccc(c2c1[nH+]ccc2)C(=O)C
SPLASH splash10-0006-9200000000-daab6c40b4aa0a96d98f
Source of Spectrum PG-1982-1789-0
Synonyms Bis(5-acetyl-8-hydroxyquinolinium) sulphate 1-(8-hydroxy-5-quinolinyl)ethanone;sulfuric acid 1-(8-hydroxyquinolin-5-yl)ethanone;sulfuric acid 1-(8-oxidanylquinolin-5-yl)ethanone;sulfuric acid EINECS 260-579-2
Wiley ID 1393260