| SpectraBase Compound ID | A6sriS1d2sJ |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KYJFJIMIPKSVRV-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7O2FDFa1XZo |
|---|---|
| Name | S-Benzylthiolisobutyrat |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KYJFJIMIPKSVRV-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(=O)(C(C)C)SCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931642 |