| SpectraBase Compound ID | 1ecceuM4Ts2 |
|---|---|
| InChI | InChI=1S/C28H36N2O14S2/c31-9-17-21(35)23(37)25(39)27(43-17)41-15-5-1-13(2-6-15)29-19(33)11-45-46-12-20(34)30-14-3-7-16(8-4-14)42-28-26(40)24(38)22(36)18(10-32)44-28/h1-8,17-18,21-28,31-32,35-40H,9-12H2,(H,29,33)(H,30,34)/t17-,18-,21+,22+,23+,24+,25-,26-,27+,28+/m0/s1 |
| InChIKey | VIXXMANARCGANS-ZSCPPXSESA-N |
| Mol Weight | 688.7 g/mol |
| Molecular Formula | C28H36N2O14S2 |
| Exact Mass | 688.160796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yaVDBtBUGN |
|---|---|
| Name | 4-(MERCAPTOACETAMIDE)-PHENYL-ALPHA-D-GALACTOPYRANOSYL-DISULFIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36N2O14S2 |
| InChI | InChI=1S/C28H36N2O14S2/c31-9-17-21(35)23(37)25(39)27(43-17)41-15-5-1-13(2-6-15)29-19(33)11-45-46-12-20(34)30-14-3-7-16(8-4-14)42-28-26(40)24(38)22(36)18(10-32)44-28/h1-8,17-18,21-28,31-32,35-40H,9-12H2,(H,29,33)(H,30,34)/t17-,18-,21+,22+,23+,24+,25-,26-,27+,28+/m0/s1 |
| InChIKey | VIXXMANARCGANS-ZSCPPXSESA-N |
| Literature Reference Author | J.BRASK,H.WACKERBARTH,K.J.JENSEN,J.ZHANG,I.CHORKENDORFF,J.UL STRUP |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,94(2003) |
| Literature Reference DOI | 10.1021/ja020943r |
| Molecular Weight | 688.719 g/mol |
| Sample ID | 40303 |
| Solvent | DMSO |