| SpectraBase Compound ID | 6pkfm64BoNt |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-3-5-7-13-17-21-27-23(25)19-15-11-9-10-12-16-20-24(26)28-22-18-14-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | YXYCZZWQSBIMFB-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mpnfA46lBT |
|---|---|
| Name | Sebacic acid, diheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-3-5-7-13-17-21-27-23(25)19-15-11-9-10-12-16-20-24(26)28-22-18-14-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | YXYCZZWQSBIMFB-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCC(OCCCCCCC)=O)CCC(OCCCCCCC)=O |