| SpectraBase Compound ID | 38pvDnMjDcj |
|---|---|
| InChI | InChI=1S/C14H22S/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
| InChIKey | ACJAQOIIEMFTGS-UHFFFAOYSA-N |
| Mol Weight | 222.39 g/mol |
| Molecular Formula | C14H22S |
| Exact Mass | 222.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7K0yOGNITl9 |
|---|---|
| Name | 2,4-di-Tert-butylthiophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.144221882 u |
| Formula | C14H22S |
| InChI | InChI=1S/C14H22S/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
| InChIKey | ACJAQOIIEMFTGS-UHFFFAOYSA-N |
| Molecular Weight | 222.390 g/mol |
| SMILES | CC(C1=CC=C(S)C(=C1)C(C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963347 |