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Acifluorfen, octyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, octyl ester
SpectraBase Compound ID GNEOThlx4ng
InChI InChI=1S/C22H23ClF3NO5/c1-2-3-4-5-6-7-12-31-21(28)17-14-16(9-10-19(17)27(29)30)32-20-11-8-15(13-18(20)23)22(24,25)26/h8-11,13-14H,2-7,12H2,1H3
InChIKey XYFLXYKWYLMEJB-UHFFFAOYSA-N
Mol Weight 473.88 g/mol
Molecular Formula C22H23ClF3NO5
Exact Mass 473.121685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMrqS7EY4t6
Name Acifluorfen, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 473.121685029 u
Formula C22H23ClF3NO5
InChI InChI=1S/C22H23ClF3NO5/c1-2-3-4-5-6-7-12-31-21(28)17-14-16(9-10-19(17)27(29)30)32-20-11-8-15(13-18(20)23)22(24,25)26/h8-11,13-14H,2-7,12H2,1H3
InChIKey XYFLXYKWYLMEJB-UHFFFAOYSA-N
Molecular Weight 473.876 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCCCCC)=O)C1)N(=O)=O)C(F)(F)F