Azoxystrobin acid

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Systematic / IUPAC Name: (2E)-2-(2-{[6-(2-Cyanophenoxy)-4-pyrimidinyl]oxy}phenyl)-3-methoxyacrylic acid

ID: Reference997

Other Names: (αE)-2-{[6-(2-Cyanophenoxy)-4-pyrimidinyl]oxy}-α-(methoxymethylene)benzeneacetic acid ;
(E)-2-{2-[6-(2-Cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylic acid;
Benzeneacetic acid, 2-{[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy}-α-(methoxymethylene)-, (αE)-

Formula: C21H15N3O5

Class: Pesticides/Herbicides

Spectral Data

Azoxystrobin acid 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 68
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2016 9:36:46 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+
InChI Key IKCXDZCEWZARFL-FOWTUZBSSA-N
Canonical SMILES
CAS
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Other Names (αE)-2-{[6-(2-Cyanophenoxy)-4-pyrimidinyl]oxy}-α-(methoxymethylene)benzeneacetic acid ;
(E)-2-{2-[6-(2-Cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylic acid;
Benzeneacetic acid, 2-{[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy}-α-(methoxymethylene)-, (αE)-

In Other Databases

PubChem 66685656
ChemSpider 28184900