| SpectraBase Compound ID | 6V84mrrAU5u |
|---|---|
| InChI | InChI=1S/C14H12S/c1-2-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15-13/h3-9H,2H2,1H3 |
| InChIKey | IEFPJOMUXITDSC-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C14H12S |
| Exact Mass | 212.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ex2fPMWUBRF |
|---|---|
| Name | Dibenzothiophene, 1-ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.065971560 u |
| Formula | C14H12S |
| InChI | InChI=1S/C14H12S/c1-2-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15-13/h3-9H,2H2,1H3 |
| InChIKey | IEFPJOMUXITDSC-UHFFFAOYSA-N |
| Molecular Weight | 212.310 g/mol |
| SMILES | CCC=1C=CC=C2C1C1=CC=CC=C1S2 |