| SpectraBase Compound ID | FOQ2bf0xZh5 |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-16(2,19)13(21-9-17)8-11-12(20-3)6-4-10-5-7-14(18)22-15(10)11/h4-7,9,13,19H,8H2,1-3H3 |
| InChIKey | MOZZYMSFJXKGGA-UHFFFAOYSA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C16H18O6 |
| Exact Mass | 306.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mvXjcDp81A |
|---|---|
| Name | Coummurrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.110338294 u |
| Formula | C16H18O6 |
| InChI | InChI=1S/C16H18O6/c1-16(2,19)13(21-9-17)8-11-12(20-3)6-4-10-5-7-14(18)22-15(10)11/h4-7,9,13,19H,8H2,1-3H3 |
| InChIKey | MOZZYMSFJXKGGA-UHFFFAOYSA-N |
| SMILES | C1(=C2OC(=O)C=CC2=CC=C1OC)CC(C(O)(C)C)OC=O |