| SpectraBase Compound ID | 4cp3sHn374X |
|---|---|
| InChI | InChI=1S/C11H12OS/c1-3-13-9-8-10-4-6-11(12-2)7-5-10/h4-7H,3H2,1-2H3 |
| InChIKey | PMKAEGLJYLIIRR-UHFFFAOYSA-N |
| Mol Weight | 192.28 g/mol |
| Molecular Formula | C11H12OS |
| Exact Mass | 192.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3AKibTDz5A0 |
|---|---|
| Name | (4-Methoxyphenyl)ethynyl ethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.060886179 u |
| Formula | C11H12OS |
| InChI | InChI=1S/C11H12OS/c1-3-13-9-8-10-4-6-11(12-2)7-5-10/h4-7H,3H2,1-2H3 |
| InChIKey | PMKAEGLJYLIIRR-UHFFFAOYSA-N |
| Molecular Weight | 192.276 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)OC)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907242 |