| SpectraBase Compound ID | Aronis4pp5Q |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-15-11(13)9-5-3-7-10(8-4-6-9)12(14)16-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | SXECLMTWIVGZPZ-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuvHx4kVHDP |
|---|---|
| Name | 1,5-Cyclooctanedicarboxylic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-15-11(13)9-5-3-7-10(8-4-6-9)12(14)16-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | SXECLMTWIVGZPZ-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(=O)(C1CCCC(C(=O)OC)CCC1)OC |