| SpectraBase Compound ID | BtZrfzvSsAO |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-2/h18-19H,3-17H2,1-2H3 |
| InChIKey | LHCLDAKIWGPUMD-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8x2oJp21bdJ |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, dodecyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-2/h18-19H,3-17H2,1-2H3 |
| InChIKey | LHCLDAKIWGPUMD-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCCC)=O)C(=O)OC |