| SpectraBase Compound ID | 5epNbFUmQJj |
|---|---|
| InChI | InChI=1S/C12H18S/c1-10(12(2,3)4)13-11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | RCKHJUYHLNYWRX-UHFFFAOYSA-N |
| Mol Weight | 194.34 g/mol |
| Molecular Formula | C12H18S |
| Exact Mass | 194.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8AeK7oJErYS |
|---|---|
| Name | (1,2,2-Trimethylpropylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.112921754 u |
| Formula | C12H18S |
| InChI | InChI=1S/C12H18S/c1-10(12(2,3)4)13-11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | RCKHJUYHLNYWRX-UHFFFAOYSA-N |
| Molecular Weight | 194.336 g/mol |
| SMILES | C(SC=1C=CC=CC1)(C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94807 |