| SpectraBase Compound ID | APuGdvJe8u9 |
|---|---|
| InChI | InChI=1S/C12H9NS/c13-12-4-2-1-3-11(12)6-5-10-7-8-14-9-10/h1-4,7-9H,13H2 |
| InChIKey | QSAGANYSPKBIBG-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 | 5Qk4GBwtcdD |
|---|---|
| Name | 2-Thiophen-3-ylethynylaniline |
| 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/c13-12-4-2-1-3-11(12)6-5-10-7-8-14-9-10/h1-4,7-9H,13H2 |
| InChIKey | QSAGANYSPKBIBG-UHFFFAOYSA-N |
| Molecular Weight | 199.271 g/mol |
| SMILES | C=1(N)C(=CC=CC1)C#CC1=CSC=C1 |