| SpectraBase Compound ID | D48LuYlPq9o |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3 |
| InChIKey | FMMYXZLBUJXWKX-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 | L9Uu5F14OO5 |
|---|---|
| Name | (2rs)-2-Phenylsulfanylpentanal |
| 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/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3 |
| InChIKey | FMMYXZLBUJXWKX-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(C(CCC)SC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82603 |