| SpectraBase Compound ID | HZhMzCvBpi0 |
|---|---|
| InChI | InChI=1S/C13H18S/c1-3-4-8-13(11-14-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11+ |
| InChIKey | BPAKYJHDGWVJKZ-ACCUITESSA-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 | 163ius7RFrh |
|---|---|
| Name | 1-(Methylthio)-2-phenylhex-1-ene |
| 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/c1-3-4-8-13(11-14-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11+ |
| InChIKey | BPAKYJHDGWVJKZ-ACCUITESSA-N |
| Molecular Weight | 206.347 g/mol |
| SMILES | CS\C=C\(C1=CC=CC=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948595 |