| SpectraBase Compound ID | JU36IDykStH |
|---|---|
| InChI | InChI=1S/C13H20OS/c1-3-9-13(2,14)11-15-10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3 |
| InChIKey | YCQGCOVBWKFEMZ-UHFFFAOYSA-N |
| Mol Weight | 224.36 g/mol |
| Molecular Formula | C13H20OS |
| Exact Mass | 224.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eh79VUQ9RX1 |
|---|---|
| Name | 1-Benzylthio-2-methylpentan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.123486437 u |
| Formula | C13H20OS |
| InChI | InChI=1S/C13H20OS/c1-3-9-13(2,14)11-15-10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3 |
| InChIKey | YCQGCOVBWKFEMZ-UHFFFAOYSA-N |
| Molecular Weight | 224.362 g/mol |
| SMILES | C1=CC(CSCC(O)(C)CCC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93018 |