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6-ALPHA-BROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-4-ALPHA-HYDROXY-2-PHENYL-1,3-BENZOXAZOL-7-BETA-YL-BENZOATE
SpectraBase Compound ID BdtDBwGSzKW
InChI InChI=1S/C20H18BrNO4/c21-14-11-15(23)16-18(25-19(22-16)12-7-3-1-4-8-12)17(14)26-20(24)13-9-5-2-6-10-13/h1-10,14-18,23H,11H2/t14-,15+,16+,17+,18+/m0/s1
InChIKey BDFBUAOVAXODGT-YYWYGQEZSA-N
Mol Weight 416.27 g/mol
Molecular Formula C20H18BrNO4
Exact Mass 415.041921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e69Div3NpG
Name 6-ALPHA-BROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-4-ALPHA-HYDROXY-2-PHENYL-1,3-BENZOXAZOL-7-BETA-YL-BENZOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18BrNO4
InChI InChI=1S/C20H18BrNO4/c21-14-11-15(23)16-18(25-19(22-16)12-7-3-1-4-8-12)17(14)26-20(24)13-9-5-2-6-10-13/h1-10,14-18,23H,11H2/t14-,15+,16+,17+,18+/m0/s1
InChIKey BDFBUAOVAXODGT-YYWYGQEZSA-N
Literature Reference Author S.ALLEMANN,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,77,1(1994)
Literature Reference DOI 10.1002/hlca.19940770103
Molecular Weight 416.271 g/mol
Solvent CDCl3
Source File Reference UWVP4612