| SpectraBase Compound ID | 2P6M3kdb9x6 |
|---|---|
| InChI | InChI=1S/C11H12OS/c1-3-9(2)11(12)13-10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
| InChIKey | UGJCDMOVBJAAOA-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 | 3qsbgQBWbuJ |
|---|---|
| Name | Phenyl (2-methyl)thiobut-3-enoate |
| 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/c1-3-9(2)11(12)13-10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
| InChIKey | UGJCDMOVBJAAOA-UHFFFAOYSA-N |
| Molecular Weight | 192.276 g/mol |
| SMILES | C1(=CC=CC=C1)SC(C(C=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812141 |