| SpectraBase Compound ID | 9LoVFmQdzzZ |
|---|---|
| InChI | InChI=1S/C13H18S/c1-4-13(5-2,6-3)14-12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3 |
| InChIKey | SVEBUHIJNNBOFT-UHFFFAOYSA-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 | aNtMS99mfN |
|---|---|
| Name | 1,1-Diethylallyl phenyl sulfide |
| 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/c1-4-13(5-2,6-3)14-12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3 |
| InChIKey | SVEBUHIJNNBOFT-UHFFFAOYSA-N |
| Molecular Weight | 206.347 g/mol |
| SMILES | C(SC1=CC=CC=C1)(C=C)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868986 |