| SpectraBase Compound ID | 2x74iimEZOT |
|---|---|
| InChI | InChI=1S/C8H12S2/c1-2-3-6-9-8-5-4-7-10-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | PTTSDBWFNLNXII-UHFFFAOYSA-N |
| Mol Weight | 172.3 g/mol |
| Molecular Formula | C8H12S2 |
| Exact Mass | 172.038043 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 | BnFTGfPnP61 |
|---|---|
| Name | Thiophene, 2-(butylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.038042734 u |
| Formula | C8H12S2 |
| InChI | InChI=1S/C8H12S2/c1-2-3-6-9-8-5-4-7-10-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | PTTSDBWFNLNXII-UHFFFAOYSA-N |
| Molecular Weight | 172.304 g/mol |
| SMILES | C(SC1=CC=CS1)CCC |