![Benzene, 1-methyl-4-[(methylthio)ethynyl]-](/api/spectrum/KA38vXGwHdj/structure.png?h=300&w=458 "Benzene, 1-methyl-4-[(methylthio)ethynyl]-")
| SpectraBase Compound ID | BOy88Alxv2S |
|---|---|
| InChI | InChI=1S/C10H10S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-6H,1-2H3 |
| InChIKey | VHXQAANFZUQGJX-UHFFFAOYSA-N |
| Mol Weight | 162.25 g/mol |
| Molecular Formula | C10H10S |
| Exact Mass | 162.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KA38vXGwHdj |
|---|---|
| Name | Benzene, 1-methyl-4-[(methylthio)ethynyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.050321496 u |
| Formula | C10H10S |
| InChI | InChI=1S/C10H10S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-6H,1-2H3 |
| InChIKey | VHXQAANFZUQGJX-UHFFFAOYSA-N |
| Molecular Weight | 162.250 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C#CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878617 |