| SpectraBase Compound ID | G4xcEUITt3y |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h22-23H,3-21H2,1-2H3 |
| InChIKey | INIZGHVNWBSUAS-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73Bw7YWJE1p |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexadecyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h22-23H,3-21H2,1-2H3 |
| InChIKey | INIZGHVNWBSUAS-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCCCCCCC)=O)C(=O)OC |