| SpectraBase Compound ID | 8zctiJsZKdW |
|---|---|
| InChI | InChI=1S/C19H24O4/c1-14-10-15(2)12-17(11-14)23-19(21)9-8-18(20)22-13-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3/b9-8+ |
| InChIKey | CNHYTYRDSMWFHU-CMDGGOBGSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C19H24O4 |
| Exact Mass | 316.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJlodTSPXqv |
|---|---|
| Name | Fumaric acid, 3,5-dimethylphenyl cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.167459249 u |
| Formula | C19H24O4 |
| InChI | InChI=1S/C19H24O4/c1-14-10-15(2)12-17(11-14)23-19(21)9-8-18(20)22-13-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3/b9-8+ |
| InChIKey | CNHYTYRDSMWFHU-CMDGGOBGSA-N |
| Molecular Weight | 316.397 g/mol |
| SMILES | C(\C=C\C(OCC1CCCCC1)=O)(OC1=CC(=CC(=C1)C)C)=O |