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Acifluorfen, isobutyl ester

View entire compound with spectra: 1 NMR

Acifluorfen, isobutyl ester
SpectraBase Compound ID 7daaa1y1GFn
InChI InChI=1S/C18H15ClF3NO5/c1-10(2)9-27-17(24)13-8-12(4-5-15(13)23(25)26)28-16-6-3-11(7-14(16)19)18(20,21)22/h3-8,10H,9H2,1-2H3
InChIKey IHGLAZUWEBNZJM-UHFFFAOYSA-N
Mol Weight 417.77 g/mol
Molecular Formula C18H15ClF3NO5
Exact Mass 417.059085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZS4uLuA5Ai
Name Acifluorfen, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.059084771 u
Formula C18H15ClF3NO5
InChI InChI=1S/C18H15ClF3NO5/c1-10(2)9-27-17(24)13-8-12(4-5-15(13)23(25)26)28-16-6-3-11(7-14(16)19)18(20,21)22/h3-8,10H,9H2,1-2H3
InChIKey IHGLAZUWEBNZJM-UHFFFAOYSA-N
Molecular Weight 417.768 g/mol
SMILES C1(=CC=C(C(=C1)Cl)OC=1C=CC(=C(C(OCC(C)C)=O)C1)N(=O)=O)C(F)(F)F