Acetochlor ESA

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Systematic / IUPAC Name: 2-[(Ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxoethanesulfonic acid

ID: Reference6647

Other Names: Acetochlor ethanesulfonic acid;
Ethanesulfonic acid,2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxo-

Formula: C14H21NO5S

Spectral Data

Acetochlor 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 1
No. of Spectra 37
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/26/2017 7:36:14 AM
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Identificators

InChI InChI=1S/C14H21NO5S/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
InChI Key HXAIQOCRALNGKB-UHFFFAOYSA-N
Canonical SMILES CCC1=CC=CC(=C1N(COCC)C(=O)CS(=O)(=O)O)C
CAS
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Other Names Acetochlor ethanesulfonic acid;
Ethanesulfonic acid,2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxo-

In Other Databases

ChemSpider 4932268
PubChem 6426848
ChEBI CHEBI:83452