| SpectraBase Compound ID | 1rWMD7fllah |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | ZKFODBATINNMGH-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RIEAi3FfAp |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | ZKFODBATINNMGH-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C1(CCCCC1C(OCCCC)=O)C(=O)OC |