| SpectraBase Compound ID | IsIGgmxlVUi |
|---|---|
| InChI | InChI=1S/C7H10O3.C5H10/c8-6-2-1-5(3-6)4-7(9)10;1-3-5-4-2/h5H,1-4H2,(H,9,10);3,5H,4H2,1-2H3/b;5-3- |
| InChIKey | NZHOGHOVSZKYBZ-PJAIOPLOSA-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 | 4gciyoLjD0N |
|---|---|
| Name | (3-oxo-2-Pent-2-enylcyclopentyl)acetic acid |
| 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/C7H10O3.C5H10/c8-6-2-1-5(3-6)4-7(9)10;1-3-5-4-2/h5H,1-4H2,(H,9,10);3,5H,4H2,1-2H3/b;5-3- |
| InChIKey | NZHOGHOVSZKYBZ-PJAIOPLOSA-N |
| Molecular Weight | 212.289 g/mol |
| Nominal Mass | 212 u |
| SMILES | C\C=C/CC.OC(CC1CCC(C1)=O)=O |