| SpectraBase Compound ID | L27i8J4okVF |
|---|---|
| InChI | InChI=1S/C22H40O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h19-20H,3-18H2,1-2H3 |
| InChIKey | XRAJHWOOOMPDFP-UHFFFAOYSA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C22H40O3 |
| Exact Mass | 352.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkyjOkPj69A |
|---|---|
| Name | 2,5-Furandione, dihydro-3-isooctadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.297745145 u |
| Formula | C22H40O3 |
| InChI | InChI=1S/C22H40O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h19-20H,3-18H2,1-2H3 |
| InChIKey | XRAJHWOOOMPDFP-UHFFFAOYSA-N |
| Molecular Weight | 352.559 g/mol |
| SMILES | C1(=O)OC(=O)C(C1)CCCCCCCCCCCCCCCC(C)C |