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6-BETA-(BENZOYLOXY)-4-BETA-BROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-2-PHENYL-1,3-BENZOXAZOL-7-ALPHA-YL-ACETATE
SpectraBase Compound ID AZHPV1HCTb5
InChI InChI=1S/C22H20BrNO5/c1-13(25)27-19-17(28-22(26)15-10-6-3-7-11-15)12-16(23)18-20(19)29-21(24-18)14-8-4-2-5-9-14/h2-11,16-20H,12H2,1H3/t16-,17-,18?,19-,20?/m0/s1
InChIKey VTWJJERDCIEZDJ-WKKAHXHTSA-N
Mol Weight 458.31 g/mol
Molecular Formula C22H20BrNO5
Exact Mass 457.052486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYTKWjvtRTz
Name 6-BETA-(BENZOYLOXY)-4-BETA-BROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-2-PHENYL-1,3-BENZOXAZOL-7-ALPHA-YL-ACETATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20BrNO5
InChI InChI=1S/C22H20BrNO5/c1-13(25)27-19-17(28-22(26)15-10-6-3-7-11-15)12-16(23)18-20(19)29-21(24-18)14-8-4-2-5-9-14/h2-11,16-20H,12H2,1H3/t16-,17-,18?,19-,20?/m0/s1
InChIKey VTWJJERDCIEZDJ-WKKAHXHTSA-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 458.309 g/mol
Solvent CDCl3
Source File Reference UWVP4614