| SpectraBase Compound ID | 35lARFBKahg |
|---|---|
| InChI | InChI=1S/C6H10.2C3H6O2/c1-6-4-2-3-5-6;2*1-2-5-3-4/h1-5H2;2*3H,2H2,1H3 |
| InChIKey | AVOWMOORNAWIPK-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrB7Z7hLSse |
|---|---|
| Name | 1,2-Cyclopentanedicarboxylic acid, 4-methylene-, diethyl ester, cis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C6H10.2C3H6O2/c1-6-4-2-3-5-6;2*1-2-5-3-4/h1-5H2;2*3H,2H2,1H3 |
| InChIKey | AVOWMOORNAWIPK-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| Nominal Mass | 230 u |
| SMILES | C(=O)OCC.C1CCC(=C)C1.C(=O)OCC |