| SpectraBase Compound ID | IdTl8GQXmMM |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-11-16-25-21(23)14-15-22(24)26-20-17-18(2)12-13-19(20)3/h12-15,17H,4-11,16H2,1-3H3/b15-14+ |
| InChIKey | AZEKRFRTRWMWQP-CCEZHUSRSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KU2TLuJoQIV |
|---|---|
| Name | Fumaric acid, decyl 2,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-11-16-25-21(23)14-15-22(24)26-20-17-18(2)12-13-19(20)3/h12-15,17H,4-11,16H2,1-3H3/b15-14+ |
| InChIKey | AZEKRFRTRWMWQP-CCEZHUSRSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCCCCCC)=O |