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(2'S)-HEXAHYDRO-2-(L'-HYDROXYETHYL)-4,4,7-TRIMETHYL-4H-BENZOXATHIINE-PARA-NITRO-BENZOATE
SpectraBase Compound ID 2tyvHA8tKGn
InChI InChI=1S/C20H27NO5S/c1-12-5-10-16-17(11-12)26-19(27-20(16,3)4)13(2)25-18(22)14-6-8-15(9-7-14)21(23)24/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3/t12-,13+,16-,17-,19-/m1/s1
InChIKey RUEOEDMYSMREHX-DDOVSQSKSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRdIJwVo61N
Name (2'S)-HEXAHYDRO-2-(L'-HYDROXYETHYL)-4,4,7-TRIMETHYL-4H-BENZOXATHIINE-PARA-NITRO-BENZOATE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27NO5S
InChI InChI=1S/C20H27NO5S/c1-12-5-10-16-17(11-12)26-19(27-20(16,3)4)13(2)25-18(22)14-6-8-15(9-7-14)21(23)24/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3/t12-,13+,16-,17-,19-/m1/s1
InChIKey RUEOEDMYSMREHX-DDOVSQSKSA-N
Literature Reference Author H.CERVANTES-CUEVAS,P.JOSEPH-NATHAN
Literature Reference Citation MH.CHEM.,128,201(1997)
Literature Reference DOI 10.1007/BF00807309
Molecular Weight 393.498 g/mol
Solvent CDCl3
Source File Reference UWCS15886