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(+/-)-TRANS-3'-BrOMO-4'-BENZOYLOXY-3',4'-DIHYDROSESELIN
SpectraBase Compound ID 5ejS2B7Gs9j
InChI InChI=1S/C21H17BrO5/c1-21(2)19(22)18(26-20(24)13-6-4-3-5-7-13)16-14(27-21)10-8-12-9-11-15(23)25-17(12)16/h3-11,18-19H,1-2H3/t18-,19+/m1/s1
InChIKey AAEQEUMCRRVGBW-MOPGFXCFSA-N
Mol Weight 429.27 g/mol
Molecular Formula C21H17BrO5
Exact Mass 428.025937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GU1D9DGwIv0
Name (+/-)-TRANS-3'-BrOMO-4'-BENZOYLOXY-3',4'-DIHYDROSESELIN
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrO5
InChI InChI=1S/C21H17BrO5/c1-21(2)19(22)18(26-20(24)13-6-4-3-5-7-13)16-14(27-21)10-8-12-9-11-15(23)25-17(12)16/h3-11,18-19H,1-2H3/t18-,19+/m1/s1
InChIKey AAEQEUMCRRVGBW-MOPGFXCFSA-N
Literature Reference Author P.MAGIATIS,E.MELLIOU,A.L.SKALTSOUNIS,S.MITAKU,S.LEONCE,P.REN ARD,A.PIERRE,G.ATASS
Literature Reference Citation J.NAT.PROD.,61,982(1998)
Literature Reference DOI 10.1021/np9800295
Molecular Weight 429.267 g/mol
Solvent CDCl3
Source File Reference UWRK3425