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Acifluorfen, pentyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, pentyl ester
SpectraBase Compound ID 2wFtU2yaNuP
InChI InChI=1S/C19H17ClF3NO5/c1-2-3-4-9-28-18(25)14-11-13(6-7-16(14)24(26)27)29-17-8-5-12(10-15(17)20)19(21,22)23/h5-8,10-11H,2-4,9H2,1H3
InChIKey ZLDJJDHUCWYLJN-UHFFFAOYSA-N
Mol Weight 431.8 g/mol
Molecular Formula C19H17ClF3NO5
Exact Mass 431.074735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGXq9c9zz0H
Name Acifluorfen, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.074734835 u
Formula C19H17ClF3NO5
InChI InChI=1S/C19H17ClF3NO5/c1-2-3-4-9-28-18(25)14-11-13(6-7-16(14)24(26)27)29-17-8-5-12(10-15(17)20)19(21,22)23/h5-8,10-11H,2-4,9H2,1H3
InChIKey ZLDJJDHUCWYLJN-UHFFFAOYSA-N
Molecular Weight 431.795 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCC)=O)C1)N(=O)=O)C(F)(F)F