![Benzene, 1-methyl-4-[(1-methylpropyl)thio]-](/api/spectrum/1AYO7mAUV47/structure.png?h=300&w=458 "Benzene, 1-methyl-4-[(1-methylpropyl)thio]-")
| SpectraBase Compound ID | CFMvgB5qwlM |
|---|---|
| InChI | InChI=1S/C11H16S/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | WVCDEKCBKRHTQY-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 | 1AYO7mAUV47 |
|---|---|
| Name | Benzene, 1-methyl-4-[(1-methylpropyl)thio]- |
| 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/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | WVCDEKCBKRHTQY-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C(SC1=CC=C(C=C1)C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917532 |