![Benzonitrile, 4-(2,3-dihydro-3-oxobenzo[b]thiophen-2-ylidenemethyl)-](/api/spectrum/FduEIDAEa7i/structure.png?h=300&w=458 "Benzonitrile, 4-(2,3-dihydro-3-oxobenzo[b]thiophen-2-ylidenemethyl)-")
| SpectraBase Compound ID | DqkXWgJjYSs |
|---|---|
| InChI | InChI=1S/C16H9NOS/c17-10-12-7-5-11(6-8-12)9-15-16(18)13-3-1-2-4-14(13)19-15/h1-9H/b15-9+ |
| InChIKey | ORQXYWNHSALYQM-OQLLNIDSSA-N |
| Mol Weight | 263.31 g/mol |
| Molecular Formula | C16H9NOS |
| Exact Mass | 263.040485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FduEIDAEa7i |
|---|---|
| Name | Benzonitrile, 4-(2,3-dihydro-3-oxobenzo[B]thiophen-2-ylidenemethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.040485087 u |
| Formula | C16H9NOS |
| InChI | InChI=1S/C16H9NOS/c17-10-12-7-5-11(6-8-12)9-15-16(18)13-3-1-2-4-14(13)19-15/h1-9H/b15-9+ |
| InChIKey | ORQXYWNHSALYQM-OQLLNIDSSA-N |
| Molecular Weight | 263.314 g/mol |
| SMILES | C=12S\C(C(C1C=CC=C2)=O)=C/C1=CC=C(C#N)C=C1 |