| SpectraBase Compound ID | 9ibLhqTHdZ2 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-5-6-7-8-16(4)22-18(20)9-10-19(21)23-17-12-14(2)11-15(3)13-17/h9-13,16H,5-8H2,1-4H3/b10-9+ |
| InChIKey | JCARGHJGCCDSPX-MDZDMXLPSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rUJtemIdVN |
|---|---|
| Name | Fumaric acid, 3,5-dimethylphenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-5-6-7-8-16(4)22-18(20)9-10-19(21)23-17-12-14(2)11-15(3)13-17/h9-13,16H,5-8H2,1-4H3/b10-9+ |
| InChIKey | JCARGHJGCCDSPX-MDZDMXLPSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC(=CC(=C1)C)C)=O |