| SpectraBase Compound ID | 21R7YCRfCUw |
|---|---|
| InChI | InChI=1S/C17H24O12/c1-8(19)25-7-14(26-9(2)20)16(28-11(4)22)17(29-12(5)23)15(13(24)6-18)27-10(3)21/h14-18H,6-7H2,1-5H3 |
| InChIKey | NFUPTWACDOJGPD-UHFFFAOYSA-N |
| Mol Weight | 420.37 g/mol |
| Molecular Formula | C17H24O12 |
| Exact Mass | 420.126776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Js4WaYHIBni |
|---|---|
| Name | D-Mannoheptulose pentaacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.126776201 u |
| Formula | C17H24O12 |
| InChI | InChI=1S/C17H24O12/c1-8(19)25-7-14(26-9(2)20)16(28-11(4)22)17(29-12(5)23)15(13(24)6-18)27-10(3)21/h14-18H,6-7H2,1-5H3 |
| InChIKey | NFUPTWACDOJGPD-UHFFFAOYSA-N |
| Molecular Weight | 420.367 g/mol |
| SMILES | C(C(C(C(C(OC(=O)C)C(CO)=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |