| SpectraBase Compound ID | DbNSeVDruYk |
|---|---|
| InChI | InChI=1S/C19H12O2S/c20-18-15-8-4-5-9-16(15)21-19(13-6-2-1-3-7-13)17(18)14-10-11-22-12-14/h1-12H |
| InChIKey | JGTOTUUTLFKAON-UHFFFAOYSA-N |
| Mol Weight | 304.36 g/mol |
| Molecular Formula | C19H12O2S |
| Exact Mass | 304.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kUQnY4d6im |
|---|---|
| Name | 3-(Thien-3-yl)-flavone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.055800798 u |
| Formula | C19H12O2S |
| InChI | InChI=1S/C19H12O2S/c20-18-15-8-4-5-9-16(15)21-19(13-6-2-1-3-7-13)17(18)14-10-11-22-12-14/h1-12H |
| InChIKey | JGTOTUUTLFKAON-UHFFFAOYSA-N |
| Molecular Weight | 304.363 g/mol |
| SMILES | C1(=C(OC2=C(C1=O)C=CC=C2)C1=CC=CC=C1)C1=CSC=C1 |