| SpectraBase Compound ID | GJpDMqlHGgi |
|---|---|
| InChI | InChI=1S/C8H8OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,10H,6H2 |
| InChIKey | DIYFBIOUBFTQJU-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C8H8OS |
| Exact Mass | 152.029586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GNnsLzwsdRT |
|---|---|
| Name | 1-Phenyl-2-sulfanylethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.029586051 u |
| Formula | C8H8OS |
| InChI | InChI=1S/C8H8OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,10H,6H2 |
| InChIKey | DIYFBIOUBFTQJU-UHFFFAOYSA-N |
| Molecular Weight | 152.211 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950718 |