| SpectraBase Compound ID | DHig45Q5HEx |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-9(2)17-12(16)13(8-6-10(3)14)7-4-5-11(13)15/h9H,4-8H2,1-3H3 |
| InChIKey | NPZABJYHSJPDJN-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 28nteHX2ORB |
|---|---|
| Name | Isopropyl 2-oxo-1-(3'-oxobutyl)cyclopentane-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-9(2)17-12(16)13(8-6-10(3)14)7-4-5-11(13)15/h9H,4-8H2,1-3H3 |
| InChIKey | NPZABJYHSJPDJN-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C1(C(OC(C)C)=O)(C(=O)CCC1)CCC(=O)C |