| SpectraBase Compound ID | AdjvmVfO8ei |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-16-24-20(22)14-15-21(23)25-19-13-11-12-18(2)17-19/h11-15,17H,3-10,16H2,1-2H3/b15-14+ |
| InChIKey | OSQTZVLUWBBUIK-CCEZHUSRSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ObV7SMrbRE |
|---|---|
| Name | Fumaric acid, decyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-16-24-20(22)14-15-21(23)25-19-13-11-12-18(2)17-19/h11-15,17H,3-10,16H2,1-2H3/b15-14+ |
| InChIKey | OSQTZVLUWBBUIK-CCEZHUSRSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1(=CC(=CC=C1)C)OC(\C=C\C(OCCCCCCCCCC)=O)=O |