| SpectraBase Compound ID | 6MnTLcTxct |
|---|---|
| InChI | InChI=1S/C11H8S/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,5-6,8-9H,2H3 |
| InChIKey | CRCZUBLWFYISFE-UHFFFAOYSA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C11H8S |
| Exact Mass | 172.034671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7DpjNAdtt0e |
|---|---|
| Name | (2-Methylthiophenyl)butadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.034671432 u |
| Formula | C11H8S |
| InChI | InChI=1S/C11H8S/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,5-6,8-9H,2H3 |
| InChIKey | CRCZUBLWFYISFE-UHFFFAOYSA-N |
| Molecular Weight | 172.245 g/mol |
| SMILES | C#CC#CC=1C(=CC=CC1)SC |