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Acifluorfen, pentadecyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, pentadecyl ester
SpectraBase Compound ID AKnXpE9P1Jk
InChI InChI=1S/C29H37ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-38-28(35)24-21-23(16-17-26(24)34(36)37)39-27-18-15-22(20-25(27)30)29(31,32)33/h15-18,20-21H,2-14,19H2,1H3
InChIKey CHFMIRDZJCYYNZ-UHFFFAOYSA-N
Mol Weight 572.1 g/mol
Molecular Formula C29H37ClF3NO5
Exact Mass 571.231235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvdUuKhExGE
Name Acifluorfen, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 571.231235479 u
Formula C29H37ClF3NO5
InChI InChI=1S/C29H37ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-38-28(35)24-21-23(16-17-26(24)34(36)37)39-27-18-15-22(20-25(27)30)29(31,32)33/h15-18,20-21H,2-14,19H2,1H3
InChIKey CHFMIRDZJCYYNZ-UHFFFAOYSA-N
Molecular Weight 572.065 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCCCCCCCCCCCCCCC)=O)C1)N(=O)=O)C(F)(F)F