Metolachlor ESA

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Systematic / IUPAC Name: 2-[(2-Ethyl-6-methylphenyl)(1-methoxy-2-propanyl)amino]-2-oxoethanesulfonic acid

ID: Reference1081

Other Names: Ethanesulfonic acid, 2-[(2-ethyl-6-methylphenyl)(2-methoxy-1-methylethyl)amino]-2-oxo-;
2-[2-Ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid

Formula: C15H23NO5S

Class: Pesticides/Herbicides

Spectral Data

Metolachlor ESA 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 LTQ Orbitrap XL
No. of Spectral Trees 2
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/11/2014 4:05:08 PM
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Identificators

InChI InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20)
InChI Key CIGKZVUEZXGYSV-UHFFFAOYSA-N
Canonical SMILES CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C
CAS 171118095
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Other Names Ethanesulfonic acid, 2-[(2-ethyl-6-methylphenyl)(2-methoxy-1-methylethyl)amino]-2-oxo-;
2-[2-Ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid

In Other Databases

ChemSpider 4932269
PubChem 6426849