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Dimethomorph isomer II
SpectraBase Compound ID H7J5mMUEDsq
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/b18-14-
InChIKey QNBTYORWCCMPQP-JXAWBTAJSA-N
Mol Weight 387.86 g/mol
Molecular Formula C21H22ClNO4
Exact Mass 387.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5pxOG4URIv
Name Dimethomorph isomer I
Source of Sample Sigma-Aldrich Cat. #46027
CAS Registry Number 110488-70-5
Classification Pesticides: Fungicides
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Formula C21H22ClNO4
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/b18-14-
InChIKey QNBTYORWCCMPQP-JXAWBTAJSA-N
Number of Peaks 50
RI1 3098
SMILES c1(\C(=C/C(N2CCOCC2)=O)c2ccc(cc2)Cl)cc(OC)c(cc1)OC
SPLASH splash10-0udi-0419000000-47457b700800d1bbe086
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-
Wiley ID LM_PEST_162