| SpectraBase Compound ID | AJdFhEgHWGP |
|---|---|
| InChI | InChI=1S/C13H10O4S/c14-9(7-10(15)12-3-1-5-17-12)8-11(16)13-4-2-6-18-13/h1-6H,7-8H2 |
| InChIKey | XMZXSAWRPPJADD-UHFFFAOYSA-N |
| Mol Weight | 262.28 g/mol |
| Molecular Formula | C13H10O4S |
| Exact Mass | 262.02998 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 | 5W9AUtaIPQQ |
|---|---|
| Name | 1-(2-Furyl)-5-(2-thienyl)pentane-1,3,5-trione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.029979972 u |
| Formula | C13H10O4S |
| InChI | InChI=1S/C13H10O4S/c14-9(7-10(15)12-3-1-5-17-12)8-11(16)13-4-2-6-18-13/h1-6H,7-8H2 |
| InChIKey | XMZXSAWRPPJADD-UHFFFAOYSA-N |
| Molecular Weight | 262.279 g/mol |
| SMILES | C(CC(CC(=O)C1=CC=CS1)=O)(=O)C=1OC=CC1 |