| SpectraBase Compound ID | 8ZRX4zox2rG |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-3-4-9-13-11-7-5-10(12-2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | VRLFLNBBUBWJEV-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 | 8wus0EWwKMG |
|---|---|
| Name | N-Butyl-4-methoxyphenyl-sulfide |
| 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/c1-3-4-9-13-11-7-5-10(12-2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | VRLFLNBBUBWJEV-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C1(OC)=CC=C(SCCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960077 |