![Methyl 2-methyl-5-[1'-methyl-2'-oxobutyl]cyclopent-1-enecarboxylate](/api/spectrum/AVCeliGy8ZB/structure.png?h=300&w=458 "Methyl 2-methyl-5-[1'-methyl-2'-oxobutyl]cyclopent-1-enecarboxylate")
| SpectraBase Compound ID | EmWd3jCceQv |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-5-11(14)9(3)10-7-6-8(2)12(10)13(15)16-4/h9-10H,5-7H2,1-4H3 |
| InChIKey | YYBSUZMXKLFGHB-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVCeliGy8ZB |
|---|---|
| Name | Methyl 2-methyl-5-[1'-methyl-2'-oxobutyl]cyclopent-1-enecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-5-11(14)9(3)10-7-6-8(2)12(10)13(15)16-4/h9-10H,5-7H2,1-4H3 |
| InChIKey | YYBSUZMXKLFGHB-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C=1(C(C(C(=O)CC)C)CCC1C)C(=O)OC |