| SpectraBase Compound ID | D3rs6j1kkKR |
|---|---|
| InChI | InChI=1S/C11H14S/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-8H,1-3H3 |
| InChIKey | JNMLEJXWANYDPI-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 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 | ETTltNOHqBd |
|---|---|
| Name | 2-Methylpropenyl p-tolyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-8H,1-3H3 |
| InChIKey | JNMLEJXWANYDPI-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C=1(SC=C(C)C)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877542 |