| SpectraBase Compound ID | L5fX6oppOk8 |
|---|---|
| InChI | InChI=1S/C11H16S/c1-4-12-10(3)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3 |
| InChIKey | HQCMIJOHGLHHFI-UHFFFAOYSA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GvS7ro4jyKI |
|---|---|
| Name | 1-(2-Methylphenyl)diethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.097271689 u |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-4-12-10(3)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3 |
| InChIKey | HQCMIJOHGLHHFI-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C(SCC)(C)C=1C(=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830335 |