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(Z)-[4'-(3"-Acetyl-2"-ethylacryloyl)-2',3'-dichlorophenoxy]-acetic acid
SpectraBase Compound ID GFGmeiZNiE9
InChI InChI=1S/C15H14Cl2O5/c1-3-9(6-8(2)18)15(21)10-4-5-11(14(17)13(10)16)22-7-12(19)20/h4-6H,3,7H2,1-2H3,(H,19,20)/b9-6-
InChIKey NYHJZSVPJALMFW-TWGQIWQCSA-N
Mol Weight 345.18 g/mol
Molecular Formula C15H14Cl2O5
Exact Mass 344.021829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nahhJWmDGe
Name (Z)-[4'-(3''-Acetyl-2''-ethylacryloyl)-2',3'-dichlorophenoxy]-acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 344.021828946 u
Formula C15H14Cl2O5
InChI InChI=1S/C15H14Cl2O5/c1-3-9(6-8(2)18)15(21)10-4-5-11(14(17)13(10)16)22-7-12(19)20/h4-6H,3,7H2,1-2H3,(H,19,20)/b9-6-
InChIKey NYHJZSVPJALMFW-TWGQIWQCSA-N
Molecular Weight 345.178 g/mol
SMILES C=1(C(=C(Cl)C(=CC1)OCC(=O)O)Cl)C(\C(=C/C(=O)C)CC)=O