| SpectraBase Compound ID | K63LSXBgRoD |
|---|---|
| InChI | InChI=1S/C33H64O4/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-31-37-33(35)29-25-21-18-17-20-24-28-32(34)36-30-26-22-8-6-4-2/h3-31H2,1-2H3 |
| InChIKey | XCODJHVTLOJEIE-UHFFFAOYSA-N |
| Mol Weight | 524.9 g/mol |
| Molecular Formula | C33H64O4 |
| Exact Mass | 524.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90sJ99Gzsdq |
|---|---|
| Name | Sebacic acid, heptyl hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 524.480460537 u |
| Formula | C33H64O4 |
| InChI | InChI=1S/C33H64O4/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-31-37-33(35)29-25-21-18-17-20-24-28-32(34)36-30-26-22-8-6-4-2/h3-31H2,1-2H3 |
| InChIKey | XCODJHVTLOJEIE-UHFFFAOYSA-N |
| Molecular Weight | 524.871 g/mol |
| SMILES | C(CCCCCC(OCCCCCCC)=O)CCC(OCCCCCCCCCCCCCCCC)=O |