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(3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-ETHOXY-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
SpectraBase Compound ID Izwg8Jj9u4K
InChI InChI=1S/2C16H19NO3S/c2*1-4-19-15-9-13-16(10(2)20-15)21-14-8-6-5-7-12(14)17(13)11(3)18/h2*5-8,13,15H,4,9H2,1-3H3/t2*13-,15-/m10/s1
InChIKey VJFWOYMXOPBFQR-ZFESANGQSA-N
Mol Weight 610.78 g/mol
Molecular Formula C32H38N2O6S2
Exact Mass 610.217129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqxnqrhG1u5
Name (3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-ETHOXY-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38N2O6S2
InChI InChI=1S/2C16H19NO3S/c2*1-4-19-15-9-13-16(10(2)20-15)21-14-8-6-5-7-12(14)17(13)11(3)18/h2*5-8,13,15H,4,9H2,1-3H3/t2*13-,15-/m10/s1
InChIKey VJFWOYMXOPBFQR-ZFESANGQSA-N
Literature Reference Author L.F.TIETZE,J.FENNEN,J.WICHMANN
Literature Reference Citation CHEM.BER.,125,1507(1992)
Literature Reference DOI 10.1002/cber.19921250629
Molecular Weight 610.784 g/mol
Solvent CDCl3
Source File Reference UWCS6723