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METHYL-(R)-[1-(BENZOYLOXY)-2-(METHYLSULFONYLOXY)-ETHYL]-9H-PYRIDO-[3,4-B]-INDOLE-3-CARBOXYLATE
SpectraBase Compound ID 7PttSexp1IK
InChI InChI=1S/C23H20N2O7S/c1-30-23(27)18-12-16-15-10-6-7-11-17(15)24-20(16)21(25-18)19(13-31-33(2,28)29)32-22(26)14-8-4-3-5-9-14/h3-12,19,24H,13H2,1-2H3/t19-/m0/s1
InChIKey BRPMLJCVTXYLKN-IBGZPJMESA-N
Mol Weight 468.48 g/mol
Molecular Formula C23H20N2O7S
Exact Mass 468.099122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bJhGndnjPE
Name METHYL-(R)-[1-(BENZOYLOXY)-2-(METHYLSULFONYLOXY)-ETHYL]-9H-PYRIDO-[3,4-B]-INDOLE-3-CARBOXYLATE
Compound Number 1 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20N2O7S
InChI InChI=1S/C23H20N2O7S/c1-30-23(27)18-12-16-15-10-6-7-11-17(15)24-20(16)21(25-18)19(13-31-33(2,28)29)32-22(26)14-8-4-3-5-9-14/h3-12,19,24H,13H2,1-2H3/t19-/m0/s1
InChIKey BRPMLJCVTXYLKN-IBGZPJMESA-N
Literature Reference Author Q.ZHANG,J.DONG,X.X.SHI,X.LU
Literature Reference Citation EUR.J.ORG.CHEM.,2012,3317(2012)
Literature Reference DOI 10.1002/ejoc.201200235
Molecular Weight 468.481 g/mol
Solvent DMSO-D6
Source File Reference UWLU84587