| SpectraBase Compound ID | EWJ0EtVvPEU |
|---|---|
| InChI | InChI=1S/C12H17NO6/c1-7(17-8(2)14)12(19-10(4)16)5-11(6-13)18-9(3)15/h7,11-12H,5H2,1-4H3 |
| InChIKey | JGYIBUHDMPEUDP-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C12H17NO6 |
| Exact Mass | 271.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADGptDa6EIt |
|---|---|
| Name | 2,4,5-tri-o-Acetyl-3,6-dideoxy-D-gluconitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.105587265 u |
| Formula | C12H17NO6 |
| InChI | InChI=1S/C12H17NO6/c1-7(17-8(2)14)12(19-10(4)16)5-11(6-13)18-9(3)15/h7,11-12H,5H2,1-4H3 |
| InChIKey | JGYIBUHDMPEUDP-UHFFFAOYSA-N |
| SMILES | C(CC(C(C)OC(=O)C)OC(=O)C)(OC(=O)C)C#N |