| SpectraBase Compound ID | 14HazsPf6QA |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-5-7-8-9-10-11-12-15-18-21-24-31-27(29)22-19-16-13-14-17-20-23-28(30)32-26(6-2)25(3)4/h25-26H,5-24H2,1-4H3 |
| InChIKey | SOMRVJPOYGWNNU-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 | IghhtiezP6J |
|---|---|
| Name | Sebacic acid, dodecyl 2-methylpent-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/c1-5-7-8-9-10-11-12-15-18-21-24-31-27(29)22-19-16-13-14-17-20-23-28(30)32-26(6-2)25(3)4/h25-26H,5-24H2,1-4H3 |
| InChIKey | SOMRVJPOYGWNNU-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCCCCCCCCCCC)=O |