| SpectraBase Compound ID | FuyvBHr1uro |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-4-5-6-7-8-15-23-19(21)13-14-20(22)24-18-11-9-17(10-12-18)16(2)3/h9-14,16H,4-8,15H2,1-3H3/b14-13+ |
| InChIKey | PAFRHVNCUWMQHI-BUHFOSPRSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OqbNMSwpQ6 |
|---|---|
| Name | Fumaric acid, heptyl 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-4-5-6-7-8-15-23-19(21)13-14-20(22)24-18-11-9-17(10-12-18)16(2)3/h9-14,16H,4-8,15H2,1-3H3/b14-13+ |
| InChIKey | PAFRHVNCUWMQHI-BUHFOSPRSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OC1=CC=C(C=C1)C(C)C)=O |