| SpectraBase Compound ID | IPKac8I4CgM |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-7-6-11(19-9(3)15)8(2)13(20-10(4)16)12(7)14(17)18-5/h6H,1-5H3 |
| InChIKey | RGYSKVJOBMTXIW-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D07xOeqK0eF |
|---|---|
| Name | Veramoss, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-7-6-11(19-9(3)15)8(2)13(20-10(4)16)12(7)14(17)18-5/h6H,1-5H3 |
| InChIKey | RGYSKVJOBMTXIW-UHFFFAOYSA-N |
| SMILES | COC(=O)C=1C(C)=CC(=C(C)C1OC(C)=O)OC(C)=O |