| SpectraBase Compound ID | DBBfsIm4X0s |
|---|---|
| InChI | InChI=1S/C14H21NO8/c1-8(16)21-7-12(22-9(2)17)13(20-5)14(23-10(3)18)11(6-15)19-4/h11-14H,7H2,1-5H3 |
| InChIKey | QOLISSDHBRFMBQ-UHFFFAOYSA-N |
| Mol Weight | 331.32 g/mol |
| Molecular Formula | C14H21NO8 |
| Exact Mass | 331.126717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BNrIT4Cv3j |
|---|---|
| Name | 3,5,6-tri-o-Acetyl-2,4-di-o-methyl-D-mannonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.126716632 u |
| Formula | C14H21NO8 |
| InChI | InChI=1S/C14H21NO8/c1-8(16)21-7-12(22-9(2)17)13(20-5)14(23-10(3)18)11(6-15)19-4/h11-14H,7H2,1-5H3 |
| InChIKey | QOLISSDHBRFMBQ-UHFFFAOYSA-N |
| Molecular Weight | 331.321 g/mol |
| SMILES | C(C(C(C(OC(C)=O)COC(=O)C)OC)OC(C)=O)(OC)C#N |