![2-[(E)-but-1-en-3-ynyl]furan](/api/spectrum/KBiCegIKhEi/structure.png?h=300&w=458 "2-[(E)-but-1-en-3-ynyl]furan")
| SpectraBase Compound ID | 6WNSB1OfOQL |
|---|---|
| InChI | InChI=1S/C8H6O/c1-2-3-5-8-6-4-7-9-8/h1,3-7H/b5-3+ |
| InChIKey | IKVNFCOCOCBEEZ-HWKANZROSA-N |
| Mol Weight | 118.13 g/mol |
| Molecular Formula | C8H6O |
| Exact Mass | 118.041865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KBiCegIKhEi |
|---|---|
| Name | 2-[(E)-but-1-en-3-Ynyl]furan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.041864812 u |
| Formula | C8H6O |
| InChI | InChI=1S/C8H6O/c1-2-3-5-8-6-4-7-9-8/h1,3-7H/b5-3+ |
| InChIKey | IKVNFCOCOCBEEZ-HWKANZROSA-N |
| Molecular Weight | 118.135 g/mol |
| SMILES | C(#C)\C=C\C=1OC=CC1 |