| SpectraBase Compound ID | 70hqQOWbs7r |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-4-7-9-10-11-12-13-14-15-18-21-24-28-34-30(32)26-22-19-16-17-20-23-27-31(33)35-29(6-3)25-8-5-2/h29H,4-28H2,1-3H3 |
| InChIKey | XOSITKIDKIFRSQ-UHFFFAOYSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C31H60O4 |
| Exact Mass | 496.44916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJ1cmFS565M |
|---|---|
| Name | Sebacic acid, 3-heptyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.449160408 u |
| Formula | C31H60O4 |
| InChI | InChI=1S/C31H60O4/c1-4-7-9-10-11-12-13-14-15-18-21-24-28-34-30(32)26-22-19-16-17-20-23-27-31(33)35-29(6-3)25-8-5-2/h29H,4-28H2,1-3H3 |
| InChIKey | XOSITKIDKIFRSQ-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)(OC(CCCC)CC)=O |