![3-[(2'-Methoxyphenyl)thio]-1-propane](/api/spectrum/Ek88cFsQAxS/structure.png?h=300&w=458 "3-[(2'-Methoxyphenyl)thio]-1-propane")
| SpectraBase Compound ID | Bu6IHqEvLgt |
|---|---|
| InChI | InChI=1S/C10H12OS/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3 |
| InChIKey | ZDKFRXWHVPOLJJ-UHFFFAOYSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C10H12OS |
| Exact Mass | 180.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ek88cFsQAxS |
|---|---|
| Name | 3-[(2'-Methoxyphenyl)thio]-1-propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.060886179 u |
| Formula | C10H12OS |
| InChI | InChI=1S/C10H12OS/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3 |
| InChIKey | ZDKFRXWHVPOLJJ-UHFFFAOYSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C1(=C(OC)C=CC=C1)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847272 |