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Acifluorfen, hexyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, hexyl ester
SpectraBase Compound ID ASjCQJc4dCA
InChI InChI=1S/C20H19ClF3NO5/c1-2-3-4-5-10-29-19(26)15-12-14(7-8-17(15)25(27)28)30-18-9-6-13(11-16(18)21)20(22,23)24/h6-9,11-12H,2-5,10H2,1H3
InChIKey IMLYIJVDPOQDHQ-UHFFFAOYSA-N
Mol Weight 445.82 g/mol
Molecular Formula C20H19ClF3NO5
Exact Mass 445.090385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBubWgcbP1f
Name Acifluorfen, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 445.090384900 u
Formula C20H19ClF3NO5
InChI InChI=1S/C20H19ClF3NO5/c1-2-3-4-5-10-29-19(26)15-12-14(7-8-17(15)25(27)28)30-18-9-6-13(11-16(18)21)20(22,23)24/h6-9,11-12H,2-5,10H2,1H3
InChIKey IMLYIJVDPOQDHQ-UHFFFAOYSA-N
Molecular Weight 445.822 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCCC)=O)C1)N(=O)=O)C(F)(F)F