| SpectraBase Compound ID | II2LBB49biv |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-9-15-11(13)7-8-12(14)16-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | OMTPZLRNLNCPKD-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 | XCzNt9P4FD |
|---|---|
| Name | Fumaric acid, 3-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/c1-4-9-15-11(13)7-8-12(14)16-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | OMTPZLRNLNCPKD-BQYQJAHWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OC(CC)CC)=O |