![Benzene, 1-[(2-ethoxyethyl)thio]-4-methyl-](/api/spectrum/61vNfja2dKc/structure.png?h=300&w=458 "Benzene, 1-[(2-ethoxyethyl)thio]-4-methyl-")
| SpectraBase Compound ID | 8Yec43ChB1v |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | MJWIVXHTVYOSHF-UHFFFAOYSA-N |
| Mol Weight | 196.31 g/mol |
| Molecular Formula | C11H16OS |
| Exact Mass | 196.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 61vNfja2dKc |
|---|---|
| Name | Benzene, 1-[(2-ethoxyethyl)thio]-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.092186308 u |
| Formula | C11H16OS |
| InChI | InChI=1S/C11H16OS/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | MJWIVXHTVYOSHF-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C=1(SCCOCC)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877466 |