| SpectraBase Compound ID | LlUh5RSQupK |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(26)22-19-16-15-18-21(22)23(25)27-2/h21-22H,3-20H2,1-2H3 |
| InChIKey | LUSDSTRLBRAMIV-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUX1XpUNA1L |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, methyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(26)22-19-16-15-18-21(22)23(25)27-2/h21-22H,3-20H2,1-2H3 |
| InChIKey | LUSDSTRLBRAMIV-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCCCCCC)=O)C(=O)OC |