| SpectraBase Compound ID | 2lUhpUKdJ59 |
|---|---|
| InChI | InChI=1S/C18H32O16.2H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;;/h5-17,19-29H,1-4H2;2*1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;;/m1../s1 |
| InChIKey | LNVIPYYEBMNJIL-ZWELICPFSA-N |
| Mol Weight | 540.5 g/mol |
| Molecular Formula | C18H36O18 |
| Exact Mass | 540.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RGXwwukPBQ |
|---|---|
| Name | MELEZITOSE, DIHYDRATE |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Comments | Some carbon atoms are unassigned |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H32O16 2H2O |
| InChI | InChI=1S/C18H32O16.2H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;;/h5-17,19-29H,1-4H2;2*1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;;/m1../s1 |
| InChIKey | LNVIPYYEBMNJIL-ZWELICPFSA-N |
| Melting Point | 160-172C (dec.) |
| Molecular Weight | 540.48 |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |