| SpectraBase Compound ID | 2PVD0BHpKNb |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-4-6-8-10-13-17-21-25(3)31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey | AKUQLLQJWKLCDQ-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 | vFVrpWo6JQ |
|---|---|
| Name | Sebacic acid, 2-decyl heptyl 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/c1-4-6-8-10-13-17-21-25(3)31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey | AKUQLLQJWKLCDQ-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCC)=O)(OC(C)CCCCCCCC)=O |