![8,12-Dimethyl-2,4-dithia[6]metacyclophane](/api/spectrum/ERyB2Js1uEv/structure.png?h=300&w=458 "8,12-Dimethyl-2,4-dithia[6]metacyclophane")
| SpectraBase Compound ID | 4jdO3z2cXWk |
|---|---|
| InChI | InChI=1S/C12H16S2/c1-9-3-4-11-7-14-8-13-6-5-12(9)10(11)2/h3-4H,5-8H2,1-2H3 |
| InChIKey | XLLOXFYSJHVSMJ-UHFFFAOYSA-N |
| Mol Weight | 224.38 g/mol |
| Molecular Formula | C12H16S2 |
| Exact Mass | 224.069343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ERyB2Js1uEv |
|---|---|
| Name | 8,12-Dimethyl-2,4-dithia[6]metacyclophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.069342863 u |
| Formula | C12H16S2 |
| InChI | InChI=1S/C12H16S2/c1-9-3-4-11-7-14-8-13-6-5-12(9)10(11)2/h3-4H,5-8H2,1-2H3 |
| InChIKey | XLLOXFYSJHVSMJ-UHFFFAOYSA-N |
| Molecular Weight | 224.380 g/mol |
| SMILES | C=12C(=C(CSCSCC2)C=CC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919932 |