| SpectraBase Compound ID | CaMvSt3fUJP |
|---|---|
| InChI | InChI=1S/C12H18O7/c1-6-11(18-8(3)14)12(19-9(4)15)10(5-16-6)17-7(2)13/h6,10-12H,5H2,1-4H3 |
| InChIKey | QPTFIDGGNPUDEM-UHFFFAOYSA-N |
| Mol Weight | 274.27 g/mol |
| Molecular Formula | C12H18O7 |
| Exact Mass | 274.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I88exKNBgjF |
|---|---|
| Name | 1,5-Anhydro-L-rhamnitol triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.105252913 u |
| Formula | C12H18O7 |
| InChI | InChI=1S/C12H18O7/c1-6-11(18-8(3)14)12(19-9(4)15)10(5-16-6)17-7(2)13/h6,10-12H,5H2,1-4H3 |
| InChIKey | QPTFIDGGNPUDEM-UHFFFAOYSA-N |
| Molecular Weight | 274.269 g/mol |
| SMILES | C1(C(COC(C1OC(=O)C)C)OC(C)=O)OC(=O)C |