| SpectraBase Compound ID | 2wpdiCZS2Kl |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-5-8-9-10-11-14-17-20-24-31-27(29)22-18-15-12-13-16-19-23-28(30)32-26(7-3)25(4)21-6-2/h25-26H,5-24H2,1-4H3 |
| InChIKey | CQNIGTPOHMTKKI-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3z6Z3T78Ib |
|---|---|
| Name | Sebacic acid, decyl 4-methylhept-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-5-8-9-10-11-14-17-20-24-31-27(29)22-18-15-12-13-16-19-23-28(30)32-26(7-3)25(4)21-6-2/h25-26H,5-24H2,1-4H3 |
| InChIKey | CQNIGTPOHMTKKI-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCCCCCCCC)=O |