| SpectraBase Compound ID | 5XznaqZdCSk |
|---|---|
| InChI | InChI=1S/C22H28O2S/c1-18-10-13-20(14-11-18)25(24)22(16-6-3-7-17-22)21(23)15-12-19-8-4-2-5-9-19/h2,4-5,8-11,13-14,21,23H,3,6-7,12,15-17H2,1H3 |
| InChIKey | NUFZDXDKBDCZET-UHFFFAOYSA-N |
| Mol Weight | 356.52 g/mol |
| Molecular Formula | C22H28O2S |
| Exact Mass | 356.181001 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A3AE7TFYcNV |
|---|---|
| Name | 3-Phenyl-1-(p-tolylsulfinylcyclohexyl)-1-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.181001314 u |
| Formula | C22H28O2S |
| InChI | InChI=1S/C22H28O2S/c1-18-10-13-20(14-11-18)25(24)22(16-6-3-7-17-22)21(23)15-12-19-8-4-2-5-9-19/h2,4-5,8-11,13-14,21,23H,3,6-7,12,15-17H2,1H3 |
| InChIKey | NUFZDXDKBDCZET-UHFFFAOYSA-N |
| Molecular Weight | 356.524 g/mol |
| SMILES | C(CCC=1C=CC=CC1)(O)C1(CCCCC1)S(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832603 |