| SpectraBase Compound ID | 6W3eT7dyExe |
|---|---|
| InChI | InChI=1S/C14H11NS2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-9H,10H2 |
| InChIKey | FDQUAOVQPKLAJW-UHFFFAOYSA-N |
| Mol Weight | 257.37 g/mol |
| Molecular Formula | C14H11NS2 |
| Exact Mass | 257.033292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4I2mcStAsXu |
|---|---|
| Name | 2-(Benzylsulfanyl)phenylisothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.033291706 u |
| Formula | C14H11NS2 |
| InChI | InChI=1S/C14H11NS2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-9H,10H2 |
| InChIKey | FDQUAOVQPKLAJW-UHFFFAOYSA-N |
| Molecular Weight | 257.369 g/mol |
| SMILES | C=1(N=C=S)C(SCC2=CC=CC=C2)=CC=CC1 |