| SpectraBase Compound ID | LWjZwMseIzi |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-4-7-8-13-16-20-26-22(24)18-14-11-9-10-12-15-19-23(25)27-21(6-3)17-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | STECWFZPMYRELU-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7uTvPihwwt |
|---|---|
| Name | Sebacic acid, heptyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-4-7-8-13-16-20-26-22(24)18-14-11-9-10-12-15-19-23(25)27-21(6-3)17-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | STECWFZPMYRELU-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCC(OC(CC)CCC)=O)CCCC(OCCCCCCC)=O |