Alachlor ESA

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Systematic / IUPAC Name: 2-[(2,6-Diethylphenyl)(methoxymethyl)amino]-2-oxoethanesulfonic acid

ID: Reference6644

Other Names: Alachlor ethanesulfonic acid;
Ethanesulfonic acid,2-[(2,6-diethylphenyl)(methoxymethyl)amino]-2-oxo-

Formula: C14H21NO5S

Spectral Data

Alachlor 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 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/26/2017 7:31:26 AM
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Identificators

InChI InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
InChI Key UTCJUUGCHWHUNI-UHFFFAOYSA-N
Canonical SMILES CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O
CAS
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Other Names Alachlor ethanesulfonic acid;
Ethanesulfonic acid,2-[(2,6-diethylphenyl)(methoxymethyl)amino]-2-oxo-

In Other Databases

ChemSpider 103108
ChEBI CHEBI:83449
PubChem 115236
ChemIDPlus 142363539; 140939157