| SpectraBase Compound ID | CNmHIwQi2nT |
|---|---|
| InChI | InChI=1S/C35H46N2O10S2/c1-5-48-31-23(25(38)27-21(44-31)17-42-29(46-27)19-13-9-7-10-14-19)36-33(40)35(3,4)34(41)37-24-26(39)28-22(45-32(24)49-6-2)18-43-30(47-28)20-15-11-8-12-16-20/h7-16,21-32,38-39H,5-6,17-18H2,1-4H3,(H,36,40)(H,37,41)/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32+/m1/s1 |
| InChIKey | DFBLVYLDOFZLFI-QWTBWKOASA-N |
| Mol Weight | 718.9 g/mol |
| Molecular Formula | C35H46N2O10S2 |
| Exact Mass | 718.259388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiyeUUBaav4 |
|---|---|
| Name | N,N'-BIS-(ETHYL-2-AMINO-4,6-O-BENZYLIDENE-2-DEOXY-1-THIO-BETA-D-ALLOPYRANOSID-2-YL)-DIMETHYLMALONAMIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46N2O10S2 |
| InChI | InChI=1S/C35H46N2O10S2/c1-5-48-31-23(25(38)27-21(44-31)17-42-29(46-27)19-13-9-7-10-14-19)36-33(40)35(3,4)34(41)37-24-26(39)28-22(45-32(24)49-6-2)18-43-30(47-28)20-15-11-8-12-16-20/h7-16,21-32,38-39H,5-6,17-18H2,1-4H3,(H,36,40)(H,37,41)/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32+/m1/s1 |
| InChIKey | DFBLVYLDOFZLFI-QWTBWKOASA-N |
| Literature Reference Author | T.MINUTH,M.M.K.BOYSEN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,23,1(2010) |
| Molecular Weight | 718.878 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT10042 |