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(10Br*)-2-(ETHOXYCARBONYL)-3-(METHYLSULFONYL)-4-PHENYL-3,10B-DIHYDRO-5H-[1]-BENZOPYRANO-[3,4-C]-PYRIDINE
SpectraBase Compound ID 6KDsAkHfAUU
InChI InChI=1S/C22H21NO5S/c1-3-27-22(24)19-13-17-16-11-7-8-12-20(16)28-14-18(17)21(23(19)29(2,25)26)15-9-5-4-6-10-15/h4-13,17H,3,14H2,1-2H3
InChIKey OXOQNTLRHFVGNG-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H21NO5S
Exact Mass 411.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lpSufY8WUk
Name (10Br*)-2-(ETHOXYCARBONYL)-3-(METHYLSULFONYL)-4-PHENYL-3,10B-DIHYDRO-5H-[1]-BENZOPYRANO-[3,4-C]-PYRIDINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO5S
InChI InChI=1S/C22H21NO5S/c1-3-27-22(24)19-13-17-16-11-7-8-12-20(16)28-14-18(17)21(23(19)29(2,25)26)15-9-5-4-6-10-15/h4-13,17H,3,14H2,1-2H3
InChIKey OXOQNTLRHFVGNG-UHFFFAOYSA-N
Literature Reference Author D.L.BOGER,W.L.CORBETT
Literature Reference Citation J.ORG.CHEM.,58,2068(1993)
Literature Reference DOI 10.1021/jo00060a022
Molecular Weight 411.472 g/mol
Solvent CDCl3
Source File Reference UWCS19960