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(3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-METHOXY-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
SpectraBase Compound ID 3tfLGxU4iza
InChI InChI=1S/2C15H17NO3S/c2*1-9-15-12(8-14(18-3)19-9)16(10(2)17)11-6-4-5-7-13(11)20-15/h2*4-7,12,14H,8H2,1-3H3/t12-,14+;12-,14-/m00/s1
InChIKey NLCSCQDLSMNYDE-SOJATLKDSA-N
Mol Weight 582.73 g/mol
Molecular Formula C30H34N2O6S2
Exact Mass 582.185829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GgArxeGGCy
Name (3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-METHOXY-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 C30H34N2O6S2
InChI InChI=1S/2C15H17NO3S/c2*1-9-15-12(8-14(18-3)19-9)16(10(2)17)11-6-4-5-7-13(11)20-15/h2*4-7,12,14H,8H2,1-3H3/t12-,14+;12-,14-/m00/s1
InChIKey NLCSCQDLSMNYDE-SOJATLKDSA-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 582.730 g/mol
Solvent CDCl3
Source File Reference UWCS6722