| SpectraBase Compound ID | AbODJoAQuyr |
|---|---|
| InChI | InChI=1S/C14H17NO9/c1-7(16)21-6-12(22-8(2)17)14(24-10(4)19)13(11(20)5-15)23-9(3)18/h12-14H,6H2,1-4H3 |
| InChIKey | UJBBVYYPLDKALG-UHFFFAOYSA-N |
| Mol Weight | 343.29 g/mol |
| Molecular Formula | C14H17NO9 |
| Exact Mass | 343.090331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlGwIOmSR0N |
|---|---|
| Name | Tetraacetyl-D-xylonic nitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.090331122 u |
| Formula | C14H17NO9 |
| InChI | InChI=1S/C14H17NO9/c1-7(16)21-6-12(22-8(2)17)14(24-10(4)19)13(11(20)5-15)23-9(3)18/h12-14H,6H2,1-4H3 |
| InChIKey | UJBBVYYPLDKALG-UHFFFAOYSA-N |
| Molecular Weight | 343.288 g/mol |
| SMILES | C(=O)(C#N)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)COC(C)=O |