![4-Phenylbenzo[B]thiophene](/api/spectrum/I35upsihb51/structure.png?h=300&w=458 "4-Phenylbenzo[B]thiophene")
| SpectraBase Compound ID | 9flO159evkD |
|---|---|
| InChI | InChI=1S/C14H10S/c1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14/h1-10H |
| InChIKey | NJCJOKLCLFCCON-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C14H10S |
| Exact Mass | 210.050321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I35upsihb51 |
|---|---|
| Name | 4-Phenylbenzo[B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.050321496 u |
| Formula | C14H10S |
| InChI | InChI=1S/C14H10S/c1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14/h1-10H |
| InChIKey | NJCJOKLCLFCCON-UHFFFAOYSA-N |
| Molecular Weight | 210.294 g/mol |
| SMILES | C=1C=CC(=CC1)C=1C=CC=C2C1C=CS2 |