| SpectraBase Compound ID | 94MA4d7r4EY |
|---|---|
| InChI | InChI=1S/C16H12O2S/c1-2-5-11-6-3-7-12-13(17)10-14(18-16(11)12)15-8-4-9-19-15/h2-4,6-10H,1,5H2 |
| InChIKey | UZONGZHHUJSEQC-UHFFFAOYSA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C16H12O2S |
| Exact Mass | 268.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VyGXS0xTrL |
|---|---|
| Name | 2-(2'-Thienyl)-8-allylbenzopyran-4-oneone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.055800798 u |
| Formula | C16H12O2S |
| InChI | InChI=1S/C16H12O2S/c1-2-5-11-6-3-7-12-13(17)10-14(18-16(11)12)15-8-4-9-19-15/h2-4,6-10H,1,5H2 |
| InChIKey | UZONGZHHUJSEQC-UHFFFAOYSA-N |
| SMILES | C1=CC(CC=C)=C2C(=C1)C(C=C(O2)C1=CC=CS1)=O |