![3-Benzylthiobenzo[b]thiophene](/api/spectrum/4Hj6HzLszYP/structure.png?h=300&w=458 "3-Benzylthiobenzo[b]thiophene")
| SpectraBase Compound ID | BS8oUw1cF4Z |
|---|---|
| InChI | InChI=1S/C15H12S2/c1-2-6-12(7-3-1)10-16-15-11-17-14-9-5-4-8-13(14)15/h1-9,11H,10H2 |
| InChIKey | RYGITTLPVKQTNR-UHFFFAOYSA-N |
| Mol Weight | 256.38 g/mol |
| Molecular Formula | C15H12S2 |
| Exact Mass | 256.038043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Hj6HzLszYP |
|---|---|
| Name | 3-Benzylthiobenzo[B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.038042734 u |
| Formula | C15H12S2 |
| InChI | InChI=1S/C15H12S2/c1-2-6-12(7-3-1)10-16-15-11-17-14-9-5-4-8-13(14)15/h1-9,11H,10H2 |
| InChIKey | RYGITTLPVKQTNR-UHFFFAOYSA-N |
| SMILES | C=1(C=2C(=CC=CC2)SC1)SCC=1C=CC=CC1 |