| SpectraBase Compound ID | 7Zc6omuYJv0 |
|---|---|
| InChI | InChI=1S/C16H10O2S2/c17-16-11-5-2-1-4-10(11)15(18-16)14-8-7-13(20-14)12-6-3-9-19-12/h1-9,15H |
| InChIKey | HFXJMDOVOOLKBQ-UHFFFAOYSA-N |
| Mol Weight | 298.37 g/mol |
| Molecular Formula | C16H10O2S2 |
| Exact Mass | 298.012222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53OHG7KsQjr |
|---|---|
| Name | 3-(5-Thiophen-2-yl-2-thiophenyl)-3H-isobenzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.012221908 u |
| Formula | C16H10O2S2 |
| InChI | InChI=1S/C16H10O2S2/c17-16-11-5-2-1-4-10(11)15(18-16)14-8-7-13(20-14)12-6-3-9-19-12/h1-9,15H |
| InChIKey | HFXJMDOVOOLKBQ-UHFFFAOYSA-N |
| SMILES | C1(OC(C=2C=CC=CC12)C=1SC(C=2SC=CC2)=CC1)=O |