| SpectraBase Compound ID | BysV1eWfIiV |
|---|---|
| InChI | InChI=1S/C23H18S/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24-17)20-15-9-4-10-16-20/h2-16H,1H3 |
| InChIKey | SDTSAQZNKASACB-UHFFFAOYSA-N |
| Mol Weight | 326.46 g/mol |
| Molecular Formula | C23H18S |
| Exact Mass | 326.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UNXW4VqW5A |
|---|---|
| Name | 2-Methyl-3,4,5-triphenylthiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.112921754 u |
| Formula | C23H18S |
| InChI | InChI=1S/C23H18S/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24-17)20-15-9-4-10-16-20/h2-16H,1H3 |
| InChIKey | SDTSAQZNKASACB-UHFFFAOYSA-N |
| Molecular Weight | 326.457 g/mol |
| SMILES | C1(=C(C(C2=CC=CC=C2)=C(S1)C)C=1C=CC=CC1)C1=CC=CC=C1 |