Dimethomorph

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Systematic / IUPAC Name: (2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one

ID: Reference402

Other Names: 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-;
3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholinoprop-2-en-1-one;
Morpholine, 3-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-

Formula: C21H22ClNO4

Class: Pesticides/Herbicides

Spectral Data

Dimethomorph 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; Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 298
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 11:19:52 AM
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Identificators

InChI InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
InChI Key QNBTYORWCCMPQP-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC
CAS 110488705
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Other Names 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-;
3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholinoprop-2-en-1-one;
Morpholine, 3-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-

In Other Databases

KEGG C18583
PubChem 86298
Wikipedia Dimethomorph (DE)