| SpectraBase Compound ID | JKZega73uB5 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14(2)8-7-13-22-18(20)11-12-19(21)23-17-10-6-5-9-16(17)15(3)4/h5-6,9-12,14-15H,7-8,13H2,1-4H3/b12-11+ |
| InChIKey | VXGJDWIPCJYQOG-VAWYXSNFSA-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 | JFvOO8IiWXu |
|---|---|
| Name | Fumaric acid, isohexyl 2-isopropylphenyl 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/c1-14(2)8-7-13-22-18(20)11-12-19(21)23-17-10-6-5-9-16(17)15(3)4/h5-6,9-12,14-15H,7-8,13H2,1-4H3/b12-11+ |
| InChIKey | VXGJDWIPCJYQOG-VAWYXSNFSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)C(C)C)=O)(OCCCC(C)C)=O |