| SpectraBase Compound ID | C83DFAkrOXu |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-9(2)8-15-12(14)10-6-4-3-5-7-11(10)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | UJDBRKHRKMGXFK-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 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 | 7gKkV0XFzmH |
|---|---|
| Name | Isobutyl 2-oxocycloheptanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-9(2)8-15-12(14)10-6-4-3-5-7-11(10)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | UJDBRKHRKMGXFK-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(C(CCCCC1)=O)C(=O)OCC(C)C |