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Coumachlor
SpectraBase Compound ID 9uMC11IATGk
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
InChIKey DEKWZWCFHUABHE-UHFFFAOYSA-N
Mol Weight 342.78 g/mol
Molecular Formula C19H15ClO4
Exact Mass 342.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPHuZRZLHwZ
Name Coumachlor
Alternate Name(s) 3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy- Coumarin, 3-(.alpha.-acetonyl-p-chlorobenzyl)-4-hydroxy- Cumachlor Tomorin dl-3-(.alpha.-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin 4-Hydroxy-3-[3-oxo-1-(4-chlorophenyl)butyl]coumarin 3-(.alpha.-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin 3-(.alpha.-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin 3-(1-Acetyl-2-(p-chlorophenyl)ethyl)-4-hydroxycoumarin 3-(1-(4-Chloorfenyl)-3-oxo-butyl)-4-hydroxy-cumarine 3-(.alpha.-p-Chlorophenyl-.beta.-acetylethyl)-4-hydroxycoumarin 3-(1-(4-Chlorophenyl)-3-oxo-butyl)-4-hydroxy-coumarine 3-(.alpha.-(p-Chlorphenyl)-.beta.-acetylaethyl)-4-hydroxycumarin 3-(1-(4-Chlor-phenyl)-3-oxo-butyl)-4-hydroxy-cumarin 3-(1-(4-Cloro-fenil)-3-oxo-butil)-4-idrossicumarina Coumachlore Cumachloor Kumachlor Ratilan (.+/-.)-Coumachlor
CAS Registry Number 81-82-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClO4
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
InChIKey DEKWZWCFHUABHE-UHFFFAOYSA-N
Molecular Weight 342.778 g/mol
SMILES OC1=C(C(CC(C)=O)c2ccc(cc2)Cl)C(=O)Oc2c1cccc2
SPLASH splash10-0fdn-8954000000-5cfaeeea4e3c78b18b3a
Source of Spectrum W5-30379-0-0
Wiley ID 1336486