| SpectraBase Compound ID | Cs0OP42FyrY |
|---|---|
| InChI | InChI=1S/C35H46N2O8S2/c1-5-46-31-23(17-25-27(44-31)19-40-29(42-25)21-13-9-7-10-14-21)36-33(38)35(3,4)34(39)37-24-18-26-28(45-32(24)47-6-2)20-41-30(43-26)22-15-11-8-12-16-22/h7-16,23-32H,5-6,17-20H2,1-4H3,(H,36,38)(H,37,39)/t23-,24-,25+,26+,27-,28-,29-,30-,31+,32+/m1/s1 |
| InChIKey | DOWGZHWHNUZJNV-IRPHYWHVSA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C35H46N2O8S2 |
| Exact Mass | 686.269559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8a7lkrbtcuj |
|---|---|
| Name | N,N'-BIS-(ETHYL-2-AMINO-4,6-O-BENZYLIDENE-2,3-DIDEOXY-1-THIO-BETA-D-GLUCOPYRANOSID-2-YL)-DIMETHYLMALONAMIDE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46N2O8S2 |
| InChI | InChI=1S/C35H46N2O8S2/c1-5-46-31-23(17-25-27(44-31)19-40-29(42-25)21-13-9-7-10-14-21)36-33(38)35(3,4)34(39)37-24-18-26-28(45-32(24)47-6-2)20-41-30(43-26)22-15-11-8-12-16-22/h7-16,23-32H,5-6,17-20H2,1-4H3,(H,36,38)(H,37,39)/t23-,24-,25+,26+,27-,28-,29-,30-,31+,32+/m1/s1 |
| InChIKey | DOWGZHWHNUZJNV-IRPHYWHVSA-N |
| Literature Reference Author | T.MINUTH,M.M.K.BOYSEN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,23,1(2010) |
| Molecular Weight | 686.879 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT10050 |