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(SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER
SpectraBase Compound ID EaMpNIGSSKD
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+/m0/s1
InChIKey VEUZZDOCACZPRY-WNCULLNHSA-N
Mol Weight 523.43 g/mol
Molecular Formula C31H23BrO3
Exact Mass 522.083058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvqlCwA6YTF
Name (SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H23BrO3
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+/m0/s1
InChIKey VEUZZDOCACZPRY-WNCULLNHSA-N
Literature Reference Author J.C.CORT,H.CHO
Literature Reference Citation MAGN.RES.CHEM.,47,897(2009)
Literature Reference DOI 10.1002/mrc.2475
Molecular Weight 523.426 g/mol
Solvent ACETONE-D6
Source File Reference UWLU80117