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Acifluorfen, tetradecyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, tetradecyl ester
SpectraBase Compound ID D3yCxz0zcDd
InChI InChI=1S/C28H35ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-37-27(34)23-20-22(15-16-25(23)33(35)36)38-26-17-14-21(19-24(26)29)28(30,31)32/h14-17,19-20H,2-13,18H2,1H3
InChIKey HTRKRKXANHPKEW-UHFFFAOYSA-N
Mol Weight 558.0 g/mol
Molecular Formula C28H35ClF3NO5
Exact Mass 557.215585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DO6cqmmIche
Name Acifluorfen, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 557.215585415 u
Formula C28H35ClF3NO5
InChI InChI=1S/C28H35ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-37-27(34)23-20-22(15-16-25(23)33(35)36)38-26-17-14-21(19-24(26)29)28(30,31)32/h14-17,19-20H,2-13,18H2,1H3
InChIKey HTRKRKXANHPKEW-UHFFFAOYSA-N
Molecular Weight 558.038 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCCCCCCCCCCC)=O)C1)N(=O)=O)C(F)(F)F