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Acifluorfen, decyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, decyl ester
SpectraBase Compound ID I35bILheorK
InChI InChI=1S/C24H27ClF3NO5/c1-2-3-4-5-6-7-8-9-14-33-23(30)19-16-18(11-12-21(19)29(31)32)34-22-13-10-17(15-20(22)25)24(26,27)28/h10-13,15-16H,2-9,14H2,1H3
InChIKey AQYQWMUOAATUAK-UHFFFAOYSA-N
Mol Weight 501.93 g/mol
Molecular Formula C24H27ClF3NO5
Exact Mass 501.152985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0GZ1D0JdYw
Name Acifluorfen, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 501.152985157 u
Formula C24H27ClF3NO5
InChI InChI=1S/C24H27ClF3NO5/c1-2-3-4-5-6-7-8-9-14-33-23(30)19-16-18(11-12-21(19)29(31)32)34-22-13-10-17(15-20(22)25)24(26,27)28/h10-13,15-16H,2-9,14H2,1H3
InChIKey AQYQWMUOAATUAK-UHFFFAOYSA-N
Molecular Weight 501.930 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCCCCCCC)=O)C1)N(=O)=O)C(F)(F)F