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(3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-ISOBUTOXY-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
SpectraBase Compound ID E6ap2pTNFsn
InChI InChI=1S/2C18H23NO3S/c2*1-11(2)10-21-17-9-15-18(12(3)22-17)23-16-8-6-5-7-14(16)19(15)13(4)20/h2*5-8,11,15,17H,9-10H2,1-4H3/t15-,17+;15-,17-/m00/s1
InChIKey AWTIUIZCBOHIAV-KWMLOIKMSA-N
Mol Weight 666.89 g/mol
Molecular Formula C36H46N2O6S2
Exact Mass 666.27973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nI8fHBHoju
Name (3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3,4,4A,5-TETRAHYDRO-3-ISOBUTOXY-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 C36H46N2O6S2
InChI InChI=1S/2C18H23NO3S/c2*1-11(2)10-21-17-9-15-18(12(3)22-17)23-16-8-6-5-7-14(16)19(15)13(4)20/h2*5-8,11,15,17H,9-10H2,1-4H3/t15-,17+;15-,17-/m00/s1
InChIKey AWTIUIZCBOHIAV-KWMLOIKMSA-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 666.891 g/mol
Solvent CDCl3
Source File Reference UWCS6724