| SpectraBase Compound ID | F0lBIdHwDHB |
|---|---|
| InChI | InChI=1S/C13H20S3/c1-14-13(15-2,16-3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3 |
| InChIKey | JLWOYVFCCRHXLT-UHFFFAOYSA-N |
| Mol Weight | 272.48 g/mol |
| Molecular Formula | C13H20S3 |
| Exact Mass | 272.072714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | APh2PVB2vNh |
|---|---|
| Name | 1,1,1-Tris(methylthio)-4-phenylbutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.072714166 u |
| Formula | C13H20S3 |
| InChI | InChI=1S/C13H20S3/c1-14-13(15-2,16-3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3 |
| InChIKey | JLWOYVFCCRHXLT-UHFFFAOYSA-N |
| SMILES | C(SC)(SC)(SC)CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857697 |