| SpectraBase Compound ID | 6cboENXmZzw |
|---|---|
| InChI | InChI=1S/C13H20O5/c1-10(2)8-17-12(14)5-6-13(15)18-9-11-4-3-7-16-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+ |
| InChIKey | GHKLAYIXPAFIDW-AATRIKPKSA-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 | 1YywsLk15aZ |
|---|---|
| Name | Fumaric acid, isobutyl 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/c1-10(2)8-17-12(14)5-6-13(15)18-9-11-4-3-7-16-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+ |
| InChIKey | GHKLAYIXPAFIDW-AATRIKPKSA-N |
| Molecular Weight | 256.298 g/mol |
| SMILES | CC(COC(\C=C\C(OCC1CCCO1)=O)=O)C |