| SpectraBase Compound ID | 8SfXNj4W68X |
|---|---|
| InChI | InChI=1S/C18H12S/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-12H |
| InChIKey | BMCNAHBDZUYGJG-UHFFFAOYSA-N |
| Mol Weight | 260.35 g/mol |
| Molecular Formula | C18H12S |
| Exact Mass | 260.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UK07HOC22p |
|---|---|
| Name | 4-Phenyldibenzothiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.065971560 u |
| Formula | C18H12S |
| InChI | InChI=1S/C18H12S/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-12H |
| InChIKey | BMCNAHBDZUYGJG-UHFFFAOYSA-N |
| Molecular Weight | 260.354 g/mol |
| SMILES | C12=C(SC3=C2C=CC=C3)C(=CC=C1)C=1C=CC=CC1 |