| SpectraBase Compound ID | AFccnMKcfC9 |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-16-11-8-9(2-4-10(11)14)3-5-12(15)17-7-6-13/h2-5,8,13-14H,6-7H2,1H3/b5-3- |
| InChIKey | VAMUFYCYJZXXPO-HYXAFXHYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6D2hK893Va |
|---|---|
| Name | Ariscucubin-A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-16-11-8-9(2-4-10(11)14)3-5-12(15)17-7-6-13/h2-5,8,13-14H,6-7H2,1H3/b5-3- |
| InChIKey | VAMUFYCYJZXXPO-HYXAFXHYSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | C(\C=C/C1=CC(OC)=C(C=C1)O)(=O)OCCO |