| SpectraBase Compound ID | AX61YtS00Mh |
|---|---|
| InChI | InChI=1S/C15H17NS/c1-13(17-15-9-5-6-12-16-15)10-11-14-7-3-2-4-8-14/h2-9,12-13H,10-11H2,1H3 |
| InChIKey | RCXGJEYLOJNMBN-UHFFFAOYSA-N |
| Mol Weight | 243.37 g/mol |
| Molecular Formula | C15H17NS |
| Exact Mass | 243.108171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoaKdlwYmeJ |
|---|---|
| Name | (rac)-2-(4-Phenylbutan-2-ylthio)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.108170725 u |
| Formula | C15H17NS |
| InChI | InChI=1S/C15H17NS/c1-13(17-15-9-5-6-12-16-15)10-11-14-7-3-2-4-8-14/h2-9,12-13H,10-11H2,1H3 |
| InChIKey | RCXGJEYLOJNMBN-UHFFFAOYSA-N |
| Molecular Weight | 243.368 g/mol |
| SMILES | C=1C=C(C=CC1)CCC(SC1=NC=CC=C1)C |