| SpectraBase Compound ID | GyWsnSy9SJb |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-8-11-17-22-28-24(26)20-15-9-6-7-10-16-21-25(27)29-23-18-13-12-14-19-23/h12-14,18-19H,2-11,15-17,20-22H2,1H3 |
| InChIKey | VMBMIXOCJLKBKN-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dtG9R6JimP |
|---|---|
| Name | Sebacic acid, nonyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-8-11-17-22-28-24(26)20-15-9-6-7-10-16-21-25(27)29-23-18-13-12-14-19-23/h12-14,18-19H,2-11,15-17,20-22H2,1H3 |
| InChIKey | VMBMIXOCJLKBKN-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCCC)=O |