| SpectraBase Compound ID | 6h5SqhAinv7 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-3-4-8-15-22-18(20)13-14-19(21)23-16-9-12-17-10-6-5-7-11-17/h5-7,10-11,13-14H,2-4,8-9,12,15-16H2,1H3/b14-13+ |
| InChIKey | TZTHAPBRBWRQIF-BUHFOSPRSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7B3xcDFPQNS |
|---|---|
| Name | Fumaric acid, hexyl 3-phenylpropyl 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/c1-2-3-4-8-15-22-18(20)13-14-19(21)23-16-9-12-17-10-6-5-7-11-17/h5-7,10-11,13-14H,2-4,8-9,12,15-16H2,1H3/b14-13+ |
| InChIKey | TZTHAPBRBWRQIF-BUHFOSPRSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OCCCC1=CC=CC=C1)=O)(OCCCCCC)=O |