| SpectraBase Compound ID | leC1Yu5EGb |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-9-13(15)17-11(3)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/b9-8+ |
| InChIKey | AOMRYLNKFIOIRO-CMDGGOBGSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 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 | LahXYnuwOgh |
|---|---|
| Name | Fumaric acid, butyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-9-13(15)17-11(3)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/b9-8+ |
| InChIKey | AOMRYLNKFIOIRO-CMDGGOBGSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C=CCC(OC(\C=C\C(OCCCC)=O)=O)C |