| SpectraBase Compound ID | FW4YEaJ3WLG |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-3-4-5-6-7-10-15-22-18(20)13-14-19(21)23-16(2)17-11-8-9-12-17/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+ |
| InChIKey | PXIRHEJRXLJRNQ-BUHFOSPRSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 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 | ZaVwUem70w |
|---|---|
| Name | Fumaric acid, 1-cyclopentylethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-3-4-5-6-7-10-15-22-18(20)13-14-19(21)23-16(2)17-11-8-9-12-17/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+ |
| InChIKey | PXIRHEJRXLJRNQ-BUHFOSPRSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C1CC(CC1)C(OC(\C=C\C(OCCCCCCCC)=O)=O)C |