| SpectraBase Compound ID | G604a58NLjP |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3 |
| InChIKey | WLLCYXDFVBWGBU-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hY9JLAsGSF |
|---|---|
| Name | Diisodecyl azelate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3 |
| InChIKey | WLLCYXDFVBWGBU-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CC(CCCCCCCOC(CCCCCCCC(OCCCCCCCC(C)C)=O)=O)C |