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benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester

View entire compound with spectra: 1 NMR

benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester
SpectraBase Compound ID K79DnpVMCLs
InChI InChI=1S/C25H24ClNO6/c26-25-13-14-27-19(15-31-24(27)30)18(25)11-12-20(32-22(28)16-7-3-1-4-8-16)21(25)33-23(29)17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20+,21+,25-/m1/s1
InChIKey KPKSTSCGHVSCSH-RPMNLZPZSA-N
Mol Weight 469.92 g/mol
Molecular Formula C25H24ClNO6
Exact Mass 469.129215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XQXLUGs6pb
Name benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24ClNO6
InChI InChI=1S/C25H24ClNO6/c26-25-13-14-27-19(15-31-24(27)30)18(25)11-12-20(32-22(28)16-7-3-1-4-8-16)21(25)33-23(29)17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20+,21+,25-/m1/s1
InChIKey KPKSTSCGHVSCSH-RPMNLZPZSA-N
Literature Reference Author I.GHIVIRIGA,P.Q.BOTTARI,T.HUDLICKY
Literature Reference Citation MAGN.RES.CHEM.,37,653(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199909)37:9<653::aid-mrc511>3.0.co;2-w
Molecular Weight 469.922 g/mol
Solvent CDCl3
Source File Reference UWCS24209