Coumachlor

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Systematic / IUPAC Name: 3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one

ID: Reference3139

Other Names: p-Chlorowarfarin;
Coumachlore;
Cumachlor;
Famarin;
Kumachlor ; more

Formula: C19H15ClO4

Class: Pesticides/Herbicides

Spectral Data

Coumachlor mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/21/2015 8:24:25 AM
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Identificators

InChI InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3
InChI Key DEKWZWCFHUABHE-UHFFFAOYSA-N
Canonical SMILES CC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O
CAS 81823
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Other Names p-Chlorowarfarin;
Coumachlore;
Cumachlor;
Famarin;
Kumachlor;
Ratilan;
Tomorin;
2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-;
3-[α-(p-Chlorphenyl)-β-acetylaethyl]-4-hydroxycumarin ;
3-(α-p-Chlorophenyl-β-acetylethyl)-4-hydroxycoumarin;
3-(α-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin;
3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin;
3-[1-(4-Chloorfenyl)-3-oxo-butyl]-4-hydroxy-cumarine ;
3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one ;
3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxycoumarin ;
3-[1-(4-Chlorophenyl)-3-oxo-butyl]-4-hydroxy-coumarine ;
3-[1-(4-Chlor-phenyl)-3-oxo-butyl]-4-hydroxy-cumarin ;
3-[1-Acetyl-2-(p-chlorophenyl)ethyl]-4-hydroxycoumarin ;
3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one;
3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one;
4-Hydroxy-3-[1-(4-chlorophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one ;
4-Hydroxy-3-[3-oxo-1-(4-chlorophenyl)butyl]coumarin;
Coumarin, 3-(α-acetonyl-p-chlorobenzyl)-4-hydroxy-

In Other Databases

ChEMBL CHEMBL1272169
Wikipedia Coumachlor
KEGG C16805
PubChem 54682651
ChemSpider 10443016