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benzoic acid [(7R,8S,10bS)-8-(benzoyloxy)-3-keto-1,5,6,7,8,9,10,10b-octahydrooxazolo[4,3-a]isoquinolin-7-yl] ester
SpectraBase Compound ID Dixa76qg7IQ
InChI InChI=1S/C25H23NO6/c27-23(16-7-3-1-4-8-16)31-21-12-11-18-19(13-14-26-20(18)15-30-25(26)29)22(21)32-24(28)17-9-5-2-6-10-17/h1-10,20-22H,11-15H2/t20-,21+,22-/m1/s1
InChIKey IXBJPAMYIRBCQI-BHIFYINESA-N
Mol Weight 433.46 g/mol
Molecular Formula C25H23NO6
Exact Mass 433.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jxfytQnRye
Name benzoic acid [(7R,8S,10bS)-8-(benzoyloxy)-3-keto-1,5,6,7,8,9,10,10b-octahydrooxazolo[4,3-a]isoquinolin-7-yl] ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23NO6
InChI InChI=1S/C25H23NO6/c27-23(16-7-3-1-4-8-16)31-21-12-11-18-19(13-14-26-20(18)15-30-25(26)29)22(21)32-24(28)17-9-5-2-6-10-17/h1-10,20-22H,11-15H2/t20-,21+,22-/m1/s1
InChIKey IXBJPAMYIRBCQI-BHIFYINESA-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 433.461 g/mol
Solvent CDCl3
Source File Reference UWCS24206