| SpectraBase Compound ID | 8zQ4hRapS5y |
|---|---|
| InChI | InChI=1S/C13H20O5/c1-2-3-8-17-12(14)6-7-13(15)18-10-11-5-4-9-16-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+ |
| InChIKey | ROAVHCLZDSTKPZ-VOTSOKGWSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C13H20O5 |
| Exact Mass | 256.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WznvnBKJpu |
|---|---|
| Name | Fumaric acid, butyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.131073739 u |
| Formula | C13H20O5 |
| InChI | InChI=1S/C13H20O5/c1-2-3-8-17-12(14)6-7-13(15)18-10-11-5-4-9-16-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+ |
| InChIKey | ROAVHCLZDSTKPZ-VOTSOKGWSA-N |
| Molecular Weight | 256.298 g/mol |
| SMILES | CCCCOC(\C=C\C(OCC1CCCO1)=O)=O |