![4-[(1'E,3'E)-4'-Phenylsulfanyl-1',3'-butadienyl]pyridine](/api/spectrum/AR2s116HHFW/structure.png?h=300&w=458 "4-[(1'E,3'E)-4'-Phenylsulfanyl-1',3'-butadienyl]pyridine")
| SpectraBase Compound ID | ILtk4UJ80aY |
|---|---|
| InChI | InChI=1S/C15H13NS/c1-2-7-15(8-3-1)17-13-5-4-6-14-9-11-16-12-10-14/h1-13H/b6-4+,13-5+ |
| InChIKey | PJCMXWQKTIXXOT-XHTJEAMOSA-N |
| Mol Weight | 239.34 g/mol |
| Molecular Formula | C15H13NS |
| Exact Mass | 239.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AR2s116HHFW |
|---|---|
| Name | 4-[(1'E,3'E)-4'-Phenylsulfanyl-1',3'-butadienyl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.076870597 u |
| Formula | C15H13NS |
| InChI | InChI=1S/C15H13NS/c1-2-7-15(8-3-1)17-13-5-4-6-14-9-11-16-12-10-14/h1-13H/b6-4+,13-5+ |
| InChIKey | PJCMXWQKTIXXOT-XHTJEAMOSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C=1N=CC=C(C1)\C=C\C=C\SC=1C=CC=CC1 |