| SpectraBase Compound ID | C64kRtjyaqp |
|---|---|
| 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-/m0/s1 |
| InChIKey | RUEOEDMYSMREHX-IVDANQHDSA-N |
| Mol Weight | 393.5 g/mol |
| Molecular Formula | C20H27NO5S |
| Exact Mass | 393.160994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3rWNT6fSO6 |
|---|---|
| Name | (2'R)-HEXAHYDRO-2-(L'-HYDROXYETHYL)-4,4,7-TRIMETHYL-4H-BENZOXATHIINE-PARA-NITRO-BENZOATE |
| Compound Number | 2D |
| 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-/m0/s1 |
| InChIKey | RUEOEDMYSMREHX-IVDANQHDSA-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 | UWCS15887 |