| SpectraBase Compound ID | 9IfVXmFJC7c |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-3-5-6-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-4-2/h3-25H2,1-2H3 |
| InChIKey | HXDOXHKUDLJJJK-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FP2cxHEGljm |
|---|---|
| Name | Sebacic acid, propyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-3-5-6-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-4-2/h3-25H2,1-2H3 |
| InChIKey | HXDOXHKUDLJJJK-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCCCCCC)=O)CCC(OCCC)=O |