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(SR/RS)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL]-4-HYDROXY-COUMARIN;MAJOR-DIASTEREOMER

Compound with spectra: 1 NMR

(SR/RS)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL]-4-HYDROXY-COUMARIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID HDpUvFdq3jo
InChI InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27+/m1/s1
InChIKey VEUZZDOCACZPRY-KCWPFWIISA-N
Mol Weight 523.43 g/mol
Molecular Formula C31H23BrO3
Exact Mass 522.083058 g/mol
Enantiomer InChIKey VEUZZDOCACZPRY-WNCULLNHSA-N

View Spectrum of (SR/RS)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL]-4-HYDROXY-COUMARIN;MAJOR-DIASTEREOMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
(SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER
Brodifacoum
TRANS-FLOCOUMAFEN
Coumatetralyl-M (HO-) isomer-1 ET
Difethialon
Coumatetralyl-M (HO-) isomer-1 ME
TRANS-3,4-DIHYDRO-2-ETHOXY-4-(ORTHO-BENZALDEHYDE)-2H,5H-PYRANO-[3,2-C]-[1]-BENZOPYRAN-5-ONE
Coumatetralyl AC
2,3,4,5-TETRAHYDRO-2-[1'-(2'-OXOPYRROLIDINYL)]-4-PHENYLPYRANO-[3,2-C]-BENZOPYRAN-5-ONE;TRANS-ISOMER
Coumatetralyl-M (HO-) isomer-2 2ET
Title Journal or Book Year
1 H and 13 C NMR chemical shift assignments and conformational analysis for the two diastereomers of the vitamin K epoxide reductase inhibitor brodifacoum Magnetic Resonance in Chemistry 2009
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