| SpectraBase Compound ID | HKIR8qraH4u |
|---|---|
| InChI | InChI=1S/C18H30N2O12.2C7H8O3S/c21-13(22)11-19-1-5-29-9-10-30-6-2-20(12-14(23)24)4-8-32-16(18(27)28)15(17(25)26)31-7-3-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);2*2-5H,1H3,(H,8,9,10)/t15-,16-;;/m1../s1 |
| InChIKey | DSCIUOTZAXRNFP-UWGSCQAASA-N |
| Mol Weight | 810.84 g/mol |
| Molecular Formula | C32H46N2O18S2 |
| Exact Mass | 810.218705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDqtNM17UJK |
|---|---|
| Name | (2R,3R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3-DICARBOXYLIC-ACID-N,N'-DIACETIC-ACID-BIS-(HYDROGENETOLUENESULFONATE) |
| Compound Number | 2.2A2D2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46N2O18S2 |
| InChI | InChI=1S/C18H30N2O12.2C7H8O3S/c21-13(22)11-19-1-5-29-9-10-30-6-2-20(12-14(23)24)4-8-32-16(18(27)28)15(17(25)26)31-7-3-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);2*2-5H,1H3,(H,8,9,10)/t15-,16-;;/m1../s1 |
| InChIKey | DSCIUOTZAXRNFP-UWGSCQAASA-N |
| Literature Reference Author | A.ANANTANARZAN,T.M.FZLES |
| Literature Reference Citation | CAN.J.CHEM.,68,1338(1990) |
| Literature Reference DOI | 10.1139/v90-206 |
| Molecular Weight | 810.840 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCS12337 |