![1-[(4-Methoxybenzyl)thio]hexane](/api/spectrum/5jIlWEvXxk5/structure.png?h=300&w=458 "1-[(4-Methoxybenzyl)thio]hexane")
| SpectraBase Compound ID | Dy3VaahQ0yf |
|---|---|
| InChI | InChI=1S/C14H22OS/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | ZBUSOZLSYHUDMD-UHFFFAOYSA-N |
| Mol Weight | 238.39 g/mol |
| Molecular Formula | C14H22OS |
| Exact Mass | 238.139137 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jIlWEvXxk5 |
|---|---|
| Name | 1-[(4-Methoxybenzyl)thio]hexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.139136501 u |
| Formula | C14H22OS |
| InChI | InChI=1S/C14H22OS/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | ZBUSOZLSYHUDMD-UHFFFAOYSA-N |
| Molecular Weight | 238.389 g/mol |
| SMILES | C=1(C=CC(=CC1)CSCCCCCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908928 |