| SpectraBase Compound ID | Atbm6AtLhE |
|---|---|
| InChI | InChI=1S/C12H9NS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2 |
| InChIKey | PFMHSJMACRLMEX-UHFFFAOYSA-N |
| Mol Weight | 199.27 g/mol |
| Molecular Formula | C12H9NS |
| Exact Mass | 199.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C956jB5jYNt |
|---|---|
| Name | 2-Naphthylthioacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.045570468 u |
| Formula | C12H9NS |
| InChI | InChI=1S/C12H9NS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2 |
| InChIKey | PFMHSJMACRLMEX-UHFFFAOYSA-N |
| Molecular Weight | 199.271 g/mol |
| SMILES | C1=CC=CC2=C1C=C(C=C2)SCC#N |