| SpectraBase Compound ID | Bbu6j34N5gL |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | ZRGJFYLLSNNOJQ-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 83myaNRh1mI |
|---|---|
| Name | o-Propyl 4-methylbenzenecarbothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | ZRGJFYLLSNNOJQ-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(=S)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929168 |