MCPB

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Systematic / IUPAC Name: 4-(4-Chloro-2-methylphenoxy)butanoic acid

ID: Reference1650

Other Names: Butanoic acid, 4-(4-chloro-2-methylphenoxy)-;
4-(2-Methyl-4-chlorophenoxy)butyric acid;
2-Methyl-4-chlorophenoxybutyric acid;
Υ-(4-Chloro-2-methylphenoxy)butyric acid;
(2-Methyl-4-chlorophenoxy)butyric acid ; more

Formula: C11H13ClO3

Class: Pesticides/Herbicides

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 41
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 10:43:48 AM
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Identificators

InChI InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key LLWADFLAOKUBDR-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
CAS 94815
Splash
Other Names Butanoic acid, 4-(4-chloro-2-methylphenoxy)-;
4-(2-Methyl-4-chlorophenoxy)butyric acid;
2-Methyl-4-chlorophenoxybutyric acid;
Υ-(4-Chloro-2-methylphenoxy)butyric acid;
(2-Methyl-4-chlorophenoxy)butyric acid;
Legumex;
Thitrol;
Bexone;
Trotox;
Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-;
4-(4-Chloro-o-tolyloxy)butyric acid;
Thistrol;
Tritrol

In Other Databases

Wikipedia MCPB
KEGG C18529
ChemSpider 6938
PubChem 7207
ChemIDPlus 000094815; 006062266; 074499197