| SpectraBase Compound ID | LMA1yPdcCJa |
|---|---|
| InChI | InChI=1S/C15H13NS/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | RGMRPDCULUSBNT-UHFFFAOYSA-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 | F891k4cergi |
|---|---|
| Name | 4-(Phenethylthio)benzonitrile |
| 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/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | RGMRPDCULUSBNT-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C(C=1C=CC(=CC1)SCCC=1C=CC=CC1)#N |