![Ketone, benzo[b]thien-3-yl o-tolyl](/api/spectrum/9yK59bcqJzf/structure.png?h=300&w=458 "Ketone, benzo[b]thien-3-yl o-tolyl")
| SpectraBase Compound ID | GO7Y5jOrMwc |
|---|---|
| InChI | InChI=1S/C16H12OS/c1-11-6-2-3-7-12(11)16(17)14-10-18-15-9-5-4-8-13(14)15/h2-10H,1H3 |
| InChIKey | CLJATIVWKLSDFE-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C16H12OS |
| Exact Mass | 252.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yK59bcqJzf |
|---|---|
| Name | Ketone, benzo[B]thien-3-yl o-tolyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.060886179 u |
| Formula | C16H12OS |
| InChI | InChI=1S/C16H12OS/c1-11-6-2-3-7-12(11)16(17)14-10-18-15-9-5-4-8-13(14)15/h2-10H,1H3 |
| InChIKey | CLJATIVWKLSDFE-UHFFFAOYSA-N |
| Molecular Weight | 252.331 g/mol |
| SMILES | C1=CC=2C(=CSC2C=C1)C(=O)C1=C(C)C=CC=C1 |