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(4AS*,10BS*)-2-(ETHOXYCARBONYL)-3-(METHYLSULFONYL)-4-PHENYL-3,4,4A,10B-TETRAHYDRO-5H-[1]-BENZOPYRANO-[3,4-C]-PYRIDINE
SpectraBase Compound ID 5JsR1DQWDqa
InChI InChI=1S/C22H23NO5S/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/h4-13,17-18,21H,3,14H2,1-2H3/t17-,18-,21+/m1/s1
InChIKey QRJKKZTYJGVJOW-OPYAIIAOSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59kINmSEyET
Name (4AS*,10BS*)-2-(ETHOXYCARBONYL)-3-(METHYLSULFONYL)-4-PHENYL-3,4,4A,10B-TETRAHYDRO-5H-[1]-BENZOPYRANO-[3,4-C]-PYRIDINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO5S
InChI InChI=1S/C22H23NO5S/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/h4-13,17-18,21H,3,14H2,1-2H3/t17-,18-,21+/m1/s1
InChIKey QRJKKZTYJGVJOW-OPYAIIAOSA-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 413.488 g/mol
Solvent CDCl3
Source File Reference UWCS19955