| SpectraBase Compound ID | Fv5viJ9tTVi |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-4-7-10-13-14-19(17-21(23)16-12-9-6-3)20(18-22)15-11-8-5-2/h18-20H,4-17H2,1-3H3 |
| InChIKey | FGGZBTMVRBWDIN-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Pk68KHmJOm |
|---|---|
| Name | 3-Hexyl-2,5-dipentylpentanedial |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-4-7-10-13-14-19(17-21(23)16-12-9-6-3)20(18-22)15-11-8-5-2/h18-20H,4-17H2,1-3H3 |
| InChIKey | FGGZBTMVRBWDIN-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(C(C(CC(=O)CCCCC)CCCCCC)CCCCC)=O |