| SpectraBase Compound ID | 2H74cN1FRJL |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-7-6-9-4-3-5-10(16-8(2)13)11(9)12(14)15-7/h7,9-11H,3-6H2,1-2H3 |
| InChIKey | FHFXNJOJADPSHT-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LGpe9aTBJ0k |
|---|---|
| Name | Acetoxy-dihydroramulosin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-7-6-9-4-3-5-10(16-8(2)13)11(9)12(14)15-7/h7,9-11H,3-6H2,1-2H3 |
| InChIKey | FHFXNJOJADPSHT-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C1(C2C(OC(=O)C)CCCC2CC(O1)C)=O |