| SpectraBase Compound ID | ACHK0f0ASDN |
|---|---|
| InChI | InChI=1S/C10H12S3/c1-12-8-7-10(11)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | DBHAQYZFAPYQEA-UHFFFAOYSA-N |
| Mol Weight | 228.39 g/mol |
| Molecular Formula | C10H12S3 |
| Exact Mass | 228.010114 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1v481yM6oBa |
|---|---|
| Name | Phenyl 3-methylthiopropanedithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.010113908 u |
| Formula | C10H12S3 |
| InChI | InChI=1S/C10H12S3/c1-12-8-7-10(11)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | DBHAQYZFAPYQEA-UHFFFAOYSA-N |
| Molecular Weight | 228.386 g/mol |
| SMILES | C(CCSC)(SC=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867627 |