| SpectraBase Compound ID | 83n7hYrUywN |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-6-7-8-9-12-19-15(17)10-11-16(18)20-14(4)13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | WJPUFZNZAISXGN-ZHACJKMWSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 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 | E7INIAGRKlG |
|---|---|
| Name | Fumaric acid, heptyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-6-7-8-9-12-19-15(17)10-11-16(18)20-14(4)13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | WJPUFZNZAISXGN-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCC)=O |