| SpectraBase Compound ID | 4j58AsU9yI |
|---|---|
| InChI | InChI=1S/C11H16O5/c1-6(15-8(3)12)4-9-5-10(13)7(2)16-11(9)14/h5-7,10,13H,4H2,1-3H3/t6-,7+,10-/m0/s1 |
| InChIKey | AUJNAJTZZVCUKQ-PJKMHFRUSA-N |
| Mol Weight | 228.24 g/mol |
| Molecular Formula | C11H16O5 |
| Exact Mass | 228.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGnlBoxL9dv |
|---|---|
| Name | Dihydroaspyrone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.099773610 u |
| Formula | C11H16O5 |
| InChI | InChI=1S/C11H16O5/c1-6(15-8(3)12)4-9-5-10(13)7(2)16-11(9)14/h5-7,10,13H,4H2,1-3H3/t6-,7+,10-/m0/s1 |
| InChIKey | AUJNAJTZZVCUKQ-PJKMHFRUSA-N |
| Molecular Weight | 228.244 g/mol |
| SMILES | C1(C(=C[C@@]([C@](O1)(C)[H])(O)[H])C[C@](C)(OC(=O)C)[H])=O |