| SpectraBase Compound ID | J6Nr6f1VRci |
|---|---|
| InChI | InChI=1S/C9H9NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3 |
| InChIKey | MVJIVFUDWSGSTG-UHFFFAOYSA-N |
| Mol Weight | 163.24 g/mol |
| Molecular Formula | C9H9NS |
| Exact Mass | 163.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1piBBIR8Rkq |
|---|---|
| Name | 2-Phenylthiopropanitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.045570468 u |
| Formula | C9H9NS |
| InChI | InChI=1S/C9H9NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3 |
| InChIKey | MVJIVFUDWSGSTG-UHFFFAOYSA-N |
| Molecular Weight | 163.238 g/mol |
| SMILES | C(#N)C(SC=1C=CC=CC1)C |