| SpectraBase Compound ID | 810gXmUuwoA |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-21(17(2)3)18(4)5/h14-15,17-18,21H,6-13,16H2,1-5H3/b15-14+ |
| InChIKey | VSCNDMTYLCLTFJ-CCEZHUSRSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75zzJTDfgxM |
|---|---|
| Name | Fumaric acid, decyl 2,4-dimethylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-21(17(2)3)18(4)5/h14-15,17-18,21H,6-13,16H2,1-5H3/b15-14+ |
| InChIKey | VSCNDMTYLCLTFJ-CCEZHUSRSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCC)=O)=O |