| SpectraBase Compound ID | 4f5fy03O9P4 |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | LJGUZBXMIQGQGR-BQYQJAHWSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKEx0YqdU32 |
|---|---|
| Name | Fumaric acid, 2-pentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | LJGUZBXMIQGQGR-BQYQJAHWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OC(C)CCC)=O |