| SpectraBase Compound ID | AYix3uaQJrl |
|---|---|
| InChI | InChI=1S/C16H16S/c1-2-8-14-9-6-7-10-15(14)13-17-16-11-4-3-5-12-16/h2-7,9-12H,1,8,13H2 |
| InChIKey | CMIKFUFPZZYKKW-UHFFFAOYSA-N |
| Mol Weight | 240.36 g/mol |
| Molecular Formula | C16H16S |
| Exact Mass | 240.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JmJG3mhE3BD |
|---|---|
| Name | 2-Allybenzyl phenyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.097271689 u |
| Formula | C16H16S |
| InChI | InChI=1S/C16H16S/c1-2-8-14-9-6-7-10-15(14)13-17-16-11-4-3-5-12-16/h2-7,9-12H,1,8,13H2 |
| InChIKey | CMIKFUFPZZYKKW-UHFFFAOYSA-N |
| Molecular Weight | 240.364 g/mol |
| SMILES | C(SC=1C=CC=CC1)C=1C(CC=C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87099 |