| SpectraBase Compound ID | 29gXRphl0TP |
|---|---|
| InChI | InChI=1S/C11H16S/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | JNMLIYFMOVEXEV-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 | 5DtznOlocyj |
|---|---|
| Name | 1-(1,1-Dimethylethyl)-4-methylsulfanylbenzene |
| 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/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | JNMLIYFMOVEXEV-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C=1(C=CC(=CC1)SC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933047 |