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1-BENZOYL-6-BENZYLOXY-7-METHOXY-2'-TOSYLOXY-3,4-DIHYDROISOQUINOLINE
SpectraBase Compound ID Ccg6BtEY8G0
InChI InChI=1S/C31H27NO6S/c1-21-12-14-24(15-13-21)39(34,35)38-27-11-7-6-10-25(27)31(33)30-26-19-28(36-2)29(18-23(26)16-17-32-30)37-20-22-8-4-3-5-9-22/h3-15,18-19H,16-17,20H2,1-2H3
InChIKey RRFRQSCNUCIUCX-UHFFFAOYSA-N
Mol Weight 541.62 g/mol
Molecular Formula C31H27NO6S
Exact Mass 541.155909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cxF24zD8IT
Name 1-BENZOYL-6-BENZYLOXY-7-METHOXY-2'-TOSYLOXY-3,4-DIHYDROISOQUINOLINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27NO6S
InChI InChI=1S/C31H27NO6S/c1-21-12-14-24(15-13-21)39(34,35)38-27-11-7-6-10-25(27)31(33)30-26-19-28(36-2)29(18-23(26)16-17-32-30)37-20-22-8-4-3-5-9-22/h3-15,18-19H,16-17,20H2,1-2H3
InChIKey RRFRQSCNUCIUCX-UHFFFAOYSA-N
Literature Reference Author A.BERMEJO,I.ANDREU,F.SUVIRE,S.LEONCE,D.H.CAIGNARD,P.RENARD,A .PIERRE,R.D.ENRIZ,D.
Literature Reference Citation J.MED.CHEM.,45,5058(2002)
Literature Reference DOI 10.1021/jm020831a
Molecular Weight 541.618 g/mol
Sample ID 65186
Solvent CDCl3