| SpectraBase Compound ID | DRlCMUAm3bv |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-15-22-18(20)12-13-19(21)23-16-14-17(2)3/h12-13H,2,4-11,14-16H2,1,3H3/b13-12+ |
| InChIKey | MIIUAARNMOECIY-OUKQBFOZSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9GYCymTXRo |
|---|---|
| Name | Fumaric acid, decyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-15-22-18(20)12-13-19(21)23-16-14-17(2)3/h12-13H,2,4-11,14-16H2,1,3H3/b13-12+ |
| InChIKey | MIIUAARNMOECIY-OUKQBFOZSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CC(=C)CCOC(\C=C\C(OCCCCCCCCCC)=O)=O |