| SpectraBase Compound ID | BBEKvphgoiZ |
|---|---|
| InChI | InChI=1S/C7H12OS/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3 |
| InChIKey | YHXHISIUWJDEDK-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gqt1zbz5xBi |
|---|---|
| Name | Cyclohexanone, 4-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.060886179 u |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3 |
| InChIKey | YHXHISIUWJDEDK-UHFFFAOYSA-N |
| Molecular Weight | 144.232 g/mol |
| SMILES | CSC1CCC(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974343 |