| SpectraBase Compound ID | FVAyMBD1gdc |
|---|---|
| InChI | InChI=1S/C11H16O5/c1-2-14-10(12)5-6-11(13)16-8-9-4-3-7-15-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+ |
| InChIKey | QHVSRCXNAYRGAR-AATRIKPKSA-N |
| Mol Weight | 228.24 g/mol |
| Molecular Formula | C11H16O5 |
| Exact Mass | 228.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fuTd0R0TFB |
|---|---|
| Name | Fumaric acid, ethyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.099773610 u |
| Formula | C11H16O5 |
| InChI | InChI=1S/C11H16O5/c1-2-14-10(12)5-6-11(13)16-8-9-4-3-7-15-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+ |
| InChIKey | QHVSRCXNAYRGAR-AATRIKPKSA-N |
| Molecular Weight | 228.244 g/mol |
| SMILES | C(\C=C\C(OCC1CCCO1)=O)(OCC)=O |