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TRANS-FLOCOUMAFEN
SpectraBase Compound ID Jx5pMVkLFqV
InChI InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28+/m1/s1
InChIKey KKBGNYHHEIAGOH-LXFBAYGMSA-N
Mol Weight 542.6 g/mol
Molecular Formula C33H25F3O4
Exact Mass 542.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOyHs7oXmHt
Name TRANS-FLOCOUMAFEN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H25F3O4
InChI InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28+/m1/s1
InChIKey KKBGNYHHEIAGOH-LXFBAYGMSA-N
Literature Reference Author J.C.JUANG,E.LIM,Y.LEE,D.MIN,J.RICCI,O.S.PARK,M.JUNG
Literature Reference Citation MOLECULES,17,2091(2012)
Literature Reference DOI 10.3390/molecules17022091
Molecular Weight 542.554 g/mol
Sample ID 1837
Solvent CDCl3