| SpectraBase Compound ID | FujVdZ0bN7Q |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3/b12-11+ |
| InChIKey | ZHMLFTLVMAJOHS-VAWYXSNFSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mhu2skVgZ4 |
|---|---|
| Name | Fumaric acid, 3-phenylpropyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3/b12-11+ |
| InChIKey | ZHMLFTLVMAJOHS-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCCC1=CC=CC=C1)=O |