| SpectraBase Compound ID | G5CN6e4YeXY |
|---|---|
| InChI | InChI=1S/C13H18S/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+ |
| InChIKey | HYVVXJSZDNUMRG-ZHACJKMWSA-N |
| Mol Weight | 206.35 g/mol |
| Molecular Formula | C13H18S |
| Exact Mass | 206.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eo1AzLCxKOu |
|---|---|
| Name | (E)-4,4-Dimethyl-2-phenylthio-2-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.112921754 u |
| Formula | C13H18S |
| InChI | InChI=1S/C13H18S/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+ |
| InChIKey | HYVVXJSZDNUMRG-ZHACJKMWSA-N |
| Molecular Weight | 206.347 g/mol |
| SMILES | C(\C=C/(SC=1C=CC=CC1)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962417 |