| SpectraBase Compound ID | 381dqkrnVoS |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-4-7-8-9-12-15-18-23-30-26(28)21-16-13-10-11-14-17-22-27(29)31-24-25(19-5-2)20-6-3/h25H,4-24H2,1-3H3 |
| InChIKey | BTJPHBPZQFLURZ-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 | 6ulD5AquFlk |
|---|---|
| Name | Sebacic acid, nonyl 2-propylpentyl 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/c1-4-7-8-9-12-15-18-23-30-26(28)21-16-13-10-11-14-17-22-27(29)31-24-25(19-5-2)20-6-3/h25H,4-24H2,1-3H3 |
| InChIKey | BTJPHBPZQFLURZ-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCCC)=O |