![5-[(E)-3-ketoprop-1-enyl]furfural](/api/spectrum/7R94DZ8YFkW/structure.png?h=300&w=458 "5-[(E)-3-ketoprop-1-enyl]furfural")
| SpectraBase Compound ID | AgsrzBS1swC |
|---|---|
| InChI | InChI=1S/C8H6O3/c9-5-1-2-7-3-4-8(6-10)11-7/h1-6H/b2-1+ |
| InChIKey | ZYUGLELWSBLUCD-OWOJBTEDSA-N |
| Mol Weight | 150.13 g/mol |
| Molecular Formula | C8H6O3 |
| Exact Mass | 150.031694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7R94DZ8YFkW |
|---|---|
| Name | 5-[(E)-3-Ketoprop-1-enyl]furfural |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.031694050 u |
| Formula | C8H6O3 |
| InChI | InChI=1S/C8H6O3/c9-5-1-2-7-3-4-8(6-10)11-7/h1-6H/b2-1+ |
| InChIKey | ZYUGLELWSBLUCD-OWOJBTEDSA-N |
| Molecular Weight | 150.133 g/mol |
| SMILES | C=1(OC(=CC1)C=O)\C=C\C=O |