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[2,3-Dichloro-4-[2'-(cyanomethyl)butyryl-phenoxy]-acetic acid
SpectraBase Compound ID DJYPDsFRZ6f
InChI InChI=1S/C14H13Cl2NO4/c1-2-8(5-6-17)14(20)9-3-4-10(13(16)12(9)15)21-7-11(18)19/h3-4,8H,2,5,7H2,1H3,(H,18,19)
InChIKey JGEDURVMLIJBMY-UHFFFAOYSA-N
Mol Weight 330.17 g/mol
Molecular Formula C14H13Cl2NO4
Exact Mass 329.022163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JowH2wz3TJq
Name [2,3-Dichloro-4-[2'-(cyanomethyl)butyryl-phenoxy]-acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H13Cl2NO4
InChI InChI=1S/C14H13Cl2NO4/c1-2-8(5-6-17)14(20)9-3-4-10(13(16)12(9)15)21-7-11(18)19/h3-4,8H,2,5,7H2,1H3,(H,18,19)
InChIKey JGEDURVMLIJBMY-UHFFFAOYSA-N
Molecular Weight 330.167 g/mol
SMILES OC(COc1ccc(c(c1Cl)Cl)C(=O)C(CC#N)CC)=O
SPLASH splash10-0002-0090000000-10bf8fd6f244b1581d10
Source of Spectrum D8-324-985-4
Wiley ID 1514259