| SpectraBase Compound ID | 3N18ejtcGj6 |
|---|---|
| InChI | InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3 |
| InChIKey | QZUNAFWZEXJWGD-UHFFFAOYSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C16H16O5 |
| Exact Mass | 288.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGOZnIAn87W |
|---|---|
| Name | Ceylantin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.099773610 u |
| Formula | C16H16O5 |
| InChI | InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3 |
| InChIKey | QZUNAFWZEXJWGD-UHFFFAOYSA-N |
| SMILES | COC1=C2C(=C(OC)C=3OC(=O)C=CC13)OC(C)(C)C=C2 |