| SpectraBase Compound ID | DU0OhhaQTE7 |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-7-10-16-12(14)8-9-13(15)17-11(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3/b9-8+ |
| InChIKey | LFUBLNCSLVZXFF-CMDGGOBGSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8iYEt0ty6XK |
|---|---|
| Name | Fumaric acid, butyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-4-7-10-16-12(14)8-9-13(15)17-11(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3/b9-8+ |
| InChIKey | LFUBLNCSLVZXFF-CMDGGOBGSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)(OC(CC)CC)=O |