| SpectraBase Compound ID | A21hvJrSGot |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-2-3-4-9-12-10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3 |
| InChIKey | WCNYVNGKHVOZMS-UHFFFAOYSA-N |
| Mol Weight | 196.31 g/mol |
| Molecular Formula | C11H16OS |
| Exact Mass | 196.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LZimx5WAYW |
|---|---|
| Name | 4-Pentoxy-thiophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.092186308 u |
| Formula | C11H16OS |
| InChI | InChI=1S/C11H16OS/c1-2-3-4-9-12-10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3 |
| InChIKey | WCNYVNGKHVOZMS-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C=1(S)C=CC(=CC1)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935996 |